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

Systemtic Name: 2-azanyl-5-[(3-bromanyl-4-methoxy-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(3-bromo-4-methoxy-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(3-bromo-4-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(3-bromo-4-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(3-bromo-4-methoxy-benzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C20H16BrN4O+ MolecularWeight: 408.27124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O/c1-10-13(6-12-4-5-17(26-3)16(21)7-12)18-11(2)15(9-23)20(24)25-19(18)14(10)8-22/h4-7H,1-3H3,(H2,24,25)/p+1