3-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]imidazo[1,2-a]pyridine

Systemtic Name: 3-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]imidazo[1,2-a]pyridine Openeye Name: 3-nitro-2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]imidazo[1,2-a]pyridine CAS Name: 3-nitro-2-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]imidazo[1,2-a]pyridine IUPAC Name: 3-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]imidazo[1,2-a]pyridine Traditional Name: 3-nitro-2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]imidazo[1,2-a]pyridine Formula: C17H19N6O2+ MolecularWeight: 339.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-]

InChI

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