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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C17H20BrN3O3/c1-2-24-17(23)12-5-7-20(8-6-12)11-14-9-16(22)21-10-13(18)3-4-15(21)19-14/h3-4,9-10,12H,2,5-8,11H2,1H3/p+1