ethyl (3S)-1-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]nipecotic acid ethyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

InChI

InChI=1S/C18H23N3O3/c1-3-24-18(23)14-5-4-8-20(11-14)12-15-9-17(22)21-10-13(2)6-7-16(21)19-15/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3/p+1/t14-/m0/s1