2-[[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(6-nitro-1-indazolyl)methyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-[(6-nitroindazol-1-yl)methyl]piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H22N7O3+ MolecularWeight: 420.44448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4

InChI

InChI=1S/C21H21N7O3/c29-21-11-17(23-20-3-1-2-6-26(20)21)14-24-7-9-25(10-8-24)15-27-19-12-18(28(30)31)5-4-16(19)13-22-27/h1-6,11-13H,7-10,14-15H2/p+1