ethyl (3S)-1-(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)nipecotic acid ethyl ester Formula: C16H20N3O3+ MolecularWeight: 302.3483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C16H19N3O3/c1-2-22-16(21)12-6-5-8-18(11-12)14-10-15(20)19-9-4-3-7-13(19)17-14/h3-4,7,9-10,12H,2,5-6,8,11H2,1H3/p+1/t12-/m0/s1