(6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Systemtic Name: (6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid (4-keto-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)COC(=O)C3CCN(CC3)C(=O)C(C)(C)C

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)COC(=O)C3CCN(CC3)C(=O)C(C)(C)C

InChI

InChI=1S/C21H27N3O4/c1-14-6-5-7-17-22-16(12-18(25)24(14)17)13-28-19(26)15-8-10-23(11-9-15)20(27)21(2,3)4/h5-7,12,15H,8-11,13H2,1-4H3/p+1