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

Systemtic Name: ethyl (3S)-1-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H21BrN3O3+ MolecularWeight: 395.27094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O3/c1-2-24-17(23)12-4-3-7-20(9-12)11-14-8-16(22)21-10-13(18)5-6-15(21)19-14/h5-6,8,10,12H,2-4,7,9,11H2,1H3/p+1/t12-/m0/s1