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

Systemtic Name: 2-azanyl-5-[(2-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(2-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(2-bromo-5-ethoxy-4-propargyloxy-benzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C24H20BrN4O2+ MolecularWeight: 476.3452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrN4O2/c1-5-7-31-21-10-19(25)15(9-20(21)30-6-2)8-16-13(3)17(11-26)23-22(16)14(4)18(12-27)24(28)29-23/h1,8-10H,6-7H2,2-4H3,(H2,28,29)/p+1