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

Systemtic Name: ethyl (3S)-1-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=O)N3C=C(C=CC3=N2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=O)N3C=C(C=CC3=N2)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