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

Systemtic Name: 7-bromanyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23BrN4O2+2 MolecularWeight: 431.32622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C20H21BrN4O2/c1-27-18-5-3-17(4-6-18)24-10-8-23(9-11-24)14-16-12-20(26)25-13-15(21)2-7-19(25)22-16/h2-7,12-13H,8-11,14H2,1H3/p+2