2-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile

Systemtic Name: 2-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-4,6-dimethyl-5-vanillylidene-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C20H17N4O2+ MolecularWeight: 345.37458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC(=C(C=C3)O)OC)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CC(=C(C=C3)O)OC)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C20H16N4O2/c1-10-13(6-12-4-5-16(25)17(7-12)26-3)18-11(2)15(9-22)20(23)24-19(18)14(10)8-21/h4-7,25H,1-3H3,(H2,23,24)/p+1