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

Systemtic Name: methyl (E)-2-cyano-3-(4-oxidanylidene-2-piperidin-1-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[4-oxo-2-(1-piperidyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-oxo-2-(1-piperidinyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(4-oxo-2-piperidin-1-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-keto-2-piperidino-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)acrylic acid methyl ester Formula: C18H19N4O3+ MolecularWeight: 339.36846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-25-18(24)13(12-19)11-14-16(21-8-4-2-5-9-21)20-15-7-3-6-10-22(15)17(14)23/h3,6-7,10-11H,2,4-5,8-9H2,1H3/p+1/b13-11+