6-nitro-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indazole

Systemtic Name: 6-nitro-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indazole Openeye Name: 6-nitro-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indazole CAS Name: 6-nitro-1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]indazole IUPAC Name: 6-nitro-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indazole Traditional Name: 6-nitro-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indazole Formula: C17H20N6O2+2 MolecularWeight: 340.3797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H18N6O2/c24-23(25)15-5-4-14-12-19-22(16(14)11-15)13-20-7-9-21(10-8-20)17-3-1-2-6-18-17/h1-6,11-12H,7-10,13H2/p+2