(E)-2-cyano-N-methyl-3-(4-oxidanylidene-2-piperidin-1-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-methyl-3-(4-oxidanylidene-2-piperidin-1-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-methyl-3-[4-oxo-2-(1-piperidyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-methyl-3-[4-oxo-2-(1-piperidinyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenamide IUPAC Name: (E)-2-cyano-N-methyl-3-(4-oxo-2-piperidin-1-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-keto-2-piperidino-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-N-methyl-acrylamide Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=C(NC2=CC=CC=[N+]2C1=O)N3CCCCC3)C#N

Isomeric SMILES

CNC(=O)/C(=C/C1=C(NC2=CC=CC=[N+]2C1=O)N3CCCCC3)/C#N

InChI

InChI=1S/C18H19N5O2/c1-20-17(24)13(12-19)11-14-16(22-8-4-2-5-9-22)21-15-7-3-6-10-23(15)18(14)25/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,20,24)/p+1/b13-11+