methyl (E)-3-[2-(4-aminocarbonylpiperidin-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[2-(4-aminocarbonylpiperidin-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[2-(4-carbamoyl-1-piperidyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-(4-carbamoyl-1-piperidinyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(4-carbamoylpiperidin-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-(4-carbamoylpiperidino)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-acrylic acid methyl ester Formula: C20H22N5O4+ MolecularWeight: 396.41978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=C(C#N)C(=O)OC)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)/C=C(\C#N)/C(=O)OC)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H21N5O4/c1-12-4-3-7-25-17(12)23-18(24-8-5-13(6-9-24)16(22)26)15(19(25)27)10-14(11-21)20(28)29-2/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H2,22,26)/p+1/b14-10+