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

Systemtic Name: 2-azanyl-5-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(4-hydroxy-3,5-dimethoxy-benzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C21H19N4O3+ MolecularWeight: 375.40056

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H18N4O3/c1-10-13(5-12-6-16(27-3)20(26)17(7-12)28-4)18-11(2)15(9-23)21(24)25-19(18)14(10)8-22/h5-7,26H,1-4H3,(H2,24,25)/p+1