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

Systemtic Name: 2-azanyl-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(3-ethoxy-4-hydroxy-benzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C21H19N4O2+ MolecularWeight: 359.40116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=C(C3=C2C(=C(C(=[NH+]3)N)C#N)C)C#N)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=C(C3=C2C(=C(C(=[NH+]3)N)C#N)C)C#N)C)O

InChI

InChI=1S/C21H18N4O2/c1-4-27-18-8-13(5-6-17(18)26)7-14-11(2)15(9-22)20-19(14)12(3)16(10-23)21(24)25-20/h5-8,26H,4H2,1-3H3,(H2,24,25)/p+1