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

Systemtic Name: (5E)-2-azanyl-4,6-dimethyl-5-[(4-propan-2-ylphenyl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: (5E)-2-amino-5-[(4-isopropylphenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: (5E)-2-amino-4,6-dimethyl-5-[(4-propan-2-ylphenyl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: (5E)-2-amino-4,6-dimethyl-5-[(4-propan-2-ylphenyl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: (5E)-2-amino-5-(4-isopropylbenzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C22H21N4+ MolecularWeight: 341.42894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)C(C)C)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C22H20N4/c1-12(2)16-7-5-15(6-8-16)9-17-13(3)18(10-23)21-20(17)14(4)19(11-24)22(25)26-21/h5-9,12H,1-4H3,(H2,25,26)/p+1/b17-9+