3-nitro-2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-nitro-2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3-nitro-2-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-nitro-2-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-nitro-2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-nitro-2-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H20N6O3+2 MolecularWeight: 368.3898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3/c25-18-16(24(26)27)17(20-15-6-2-4-8-23(15)18)22-11-9-21(10-12-22)13-14-5-1-3-7-19-14/h1-8H,9-13H2/p+2