(2E)-3-oxidanylidene-5-pyridin-1-ium-1-yl-2-(1H-pyridin-2-ylidene)pentanenitrile chloride

Systemtic Name: (2E)-3-oxidanylidene-5-pyridin-1-ium-1-yl-2-(1H-pyridin-2-ylidene)pentanenitrile chloride Openeye Name: (2E)-3-oxo-5-pyridin-1-ium-1-yl-2-(1H-pyridin-2-ylidene)pentanenitrile chloride CAS Name: (2E)-3-oxo-5-(1-pyridin-1-iumyl)-2-(1H-pyridin-2-ylidene)pentanenitrile chloride IUPAC Name: (2E)-3-oxo-5-pyridin-1-ium-1-yl-2-(1H-pyridin-2-ylidene)pentanenitrile chloride Traditional Name: (2E)-3-keto-5-pyridin-1-ium-1-yl-2-(1H-pyridin-2-ylidene)valeronitrile chloride Formula: C15H14ClN3O MolecularWeight: 287.74416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCC(=O)C(=C2C=CC=CN2)C#N.[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCC(=O)/C(=C/2\C=CC=CN2)/C#N.[Cl-]

InChI

InChI=1S/C15H13N3O.ClH/c16-12-13(14-6-2-3-8-17-14)15(19)7-11-18-9-4-1-5-10-18;/h1-6,8-10H,7,11H2;1H