(2-cyano-3-oxidanylidene-1-phenyl-4-pyridin-1-ium-1-yl-but-1-enyl)cyanamide

Systemtic Name: (2-cyano-3-oxidanylidene-1-phenyl-4-pyridin-1-ium-1-yl-but-1-enyl)cyanamide Openeye Name: (2-cyano-3-oxo-1-phenyl-4-pyridin-1-ium-1-yl-but-1-enyl)cyanamide CAS Name: [2-cyano-3-oxo-1-phenyl-4-(1-pyridin-1-iumyl)but-1-enyl]cyanamide IUPAC Name: (2-cyano-3-oxo-1-phenyl-4-pyridin-1-ium-1-ylbut-1-enyl)cyanamide Traditional Name: (2-cyano-3-keto-1-phenyl-4-pyridin-1-ium-1-yl-but-1-enyl)cyanamide Formula: C17H13N4O+ MolecularWeight: 289.31132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C#N)C(=O)C[N+]2=CC=CC=C2)NC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=C(C#N)C(=O)C[N+]2=CC=CC=C2)NC#N

InChI

InChI=1S/C17H12N4O/c18-11-15(16(22)12-21-9-5-2-6-10-21)17(20-13-19)14-7-3-1-4-8-14/h1-10H,12H2/p+1