7-bromanyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H19BrN6O+2 MolecularWeight: 403.27636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C4=NC=CC=N4

InChI

InChI=1S/C17H17BrN6O/c18-13-2-3-15-21-14(10-16(25)24(15)11-13)12-22-6-8-23(9-7-22)17-19-4-1-5-20-17/h1-5,10-11H,6-9,12H2/p+2