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

Systemtic Name: 2-azanyl-5-[(2-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(2-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(2-bromo-4-ethoxy-5-methoxy-benzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C22H20BrN4O2+ MolecularWeight: 452.3238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)Br)C=C2C(=C(C3=C2C(=C(C(=[NH+]3)N)C#N)C)C#N)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)Br)C=C2C(=C(C3=C2C(=C(C(=[NH+]3)N)C#N)C)C#N)C)OC

InChI

InChI=1S/C22H19BrN4O2/c1-5-29-19-8-17(23)13(7-18(19)28-4)6-14-11(2)15(9-24)21-20(14)12(3)16(10-25)22(26)27-21/h6-8H,5H2,1-4H3,(H2,26,27)/p+1