(Z)-3-[2-(azepan-1-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enamide

Systemtic Name: (Z)-3-[2-(azepan-1-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enamide Openeye Name: (Z)-3-[2-(azepan-1-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enamide CAS Name: (Z)-3-[2-(1-azepanyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-2-propenamide IUPAC Name: (Z)-3-[2-(azepan-1-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyanoprop-2-enamide Traditional Name: (Z)-3-[2-(azepan-1-yl)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-acrylamide Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)C=C(C#N)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)/C=C(/C#N)\C(=O)N

InChI

InChI=1S/C18H19N5O2/c19-12-13(16(20)24)11-14-17(22-8-4-1-2-5-9-22)21-15-7-3-6-10-23(15)18(14)25/h3,6-7,10-11H,1-2,4-5,8-9H2,(H2,20,24)/p+1/b13-11-