2-[[4-(5-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(5-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(5-bromo-2-fluoro-benzoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(5-bromo-2-fluorophenyl)-oxomethyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(5-bromo-2-fluoro-benzoyl)piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H19BrFN4O2+ MolecularWeight: 446.292863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C20H18BrFN4O2/c21-14-4-5-17(22)16(11-14)20(28)25-9-7-24(8-10-25)13-15-12-19(27)26-6-2-1-3-18(26)23-15/h1-6,11-12H,7-10,13H2/p+1