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

Systemtic Name: 2-azanyl-4,6-dimethyl-5-[(4-phenylmethoxyphenyl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(4-benzyloxyphenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-4,6-dimethyl-5-[(4-phenylmethoxyphenyl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-4,6-dimethyl-5-[(4-phenylmethoxyphenyl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(4-benzoxybenzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C26H21N4O+ MolecularWeight: 405.47114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C26H20N4O/c1-16-21(24-17(2)23(14-28)26(29)30-25(24)22(16)13-27)12-18-8-10-20(11-9-18)31-15-19-6-4-3-5-7-19/h3-12H,15H2,1-2H3,(H2,29,30)/p+1