3-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-nitro-2-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-nitro-2-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H24N8O3+2 MolecularWeight: 412.44566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C19H22N8O3/c28-18-16(27(29)30)17(23-15-5-1-2-10-26(15)18)20-8-4-9-24-11-13-25(14-12-24)19-21-6-3-7-22-19/h1-3,5-7,10H,4,8-9,11-14H2,(H,20,28)/p+2