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

Systemtic Name: methyl 1-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCC(CC3)C(=O)OC)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCC(CC3)C(=O)OC)C=C1

InChI

InChI=1S/C17H21N3O3/c1-12-3-4-15-18-14(9-16(21)20(15)10-12)11-19-7-5-13(6-8-19)17(22)23-2/h3-4,9-10,13H,5-8,11H2,1-2H3/p+1