ethyl (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: ethyl (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: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C21H24N5O4+ MolecularWeight: 410.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(NC2=C(C=CC=[N+]2C1=O)C)N3CCC(CC3)C(=O)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(NC2=C(C=CC=[N+]2C1=O)C)N3CCC(CC3)C(=O)N)/C#N

InChI

InChI=1S/C21H23N5O4/c1-3-30-21(29)15(12-22)11-16-19(25-9-6-14(7-10-25)17(23)27)24-18-13(2)5-4-8-26(18)20(16)28/h4-5,8,11,14H,3,6-7,9-10H2,1-2H3,(H2,23,27)/p+1/b15-11+