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

Systemtic Name: 2-azanyl-5-[(3-bromanyl-4-phenylmethoxy-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(4-benzyloxy-3-bromo-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(4-benzoxy-3-bromo-benzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C26H20BrN4O+ MolecularWeight: 484.3672

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H19BrN4O/c1-15-19(24-16(2)21(13-29)26(30)31-25(24)20(15)12-28)10-18-8-9-23(22(27)11-18)32-14-17-6-4-3-5-7-17/h3-11H,14H2,1-2H3,(H2,30,31)/p+1