About: catharanthine(1+)

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An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

cation

Attributes	Values
rdf:type	Item
description	cation (en)
rdfs:label	catharanthine(1+) (en)
skos:prefLabel	catharanthine(1+) (en)
name	catharanthine(1+) (en)
isomeric SMILES	wds:Q74411579-03DCB4A5-3DF8-4F05-9599-45624A9F7721
isomeric SMILES	CCC1=C[C@H]2C[C@]3([C@@H]1[NH+](C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
instance of	wds:Q74411579-5B9749F2-D9DD-4478-9E81-8068EBC8904D
instance of	type of chemical entity
subclass of	wds:Q74411579-77DF5379-1291-4757-BD78-41E4C615E13A wds:Q74411579-F8FCA7A8-6BCE-42FE-A253-9B162DF5D1A8
subclass of	organic cation ammonium ion derivative
UniChem compound ID	wds:Q74411579-AC688774-BE4D-40B6-9D66-397B44DBEDF7
canonical SMILES	wds:Q74411579-5C8A507C-40F7-4518-B9C5-7D5B4C0388D4
InChI	wds:Q74411579-AAF921BF-2378-4B49-AE5D-72531AFA2575
InChIKey	wds:Q74411579-88C7014D-C147-44C4-B604-0F79BB746025
chemical formula	wds:Q74411579-111B2BDA-E5AD-4FBE-9875-549BD22D1321
PubChem CID	wds:Q74411579-FE978945-336C-43CD-916E-B85BD6DAECFB
ChEBI ID	wds:Q74411579-9D6F4FEB-61AA-479F-9301-E4C7EE89E96B
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6572701
ChEBI ID	http://purl.obolibrary.org/obo/CHEBI_142675
UniChem compound ID	16512267
canonical SMILES	CCC1=CC2C[NH+]3CCc4c([nH]c5ccccc45)C(C(=O)OC)(C2)C13
InChI	InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/p+1/t13-,19+,21-/m0/s1
InChIKey	CMKFQVZJOWHHDV-NQZBTDCJSA-O
chemical formula	C₂₁H₂₅N₂O₂⁺
PubChem CID	6572701
ChEBI ID	142675
mass	wds:Q74411579-3A210B36-2679-46B3-B3E3-46A3544B7BB6
mass	337.19105446008996 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q74411579

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