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

Systemtic Name: methyl 1-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H19BrN3O3+ MolecularWeight: 381.24436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O3/c1-23-16(22)11-4-6-19(7-5-11)10-13-8-15(21)20-9-12(17)2-3-14(20)18-13/h2-3,8-9,11H,4-7,10H2,1H3/p+1