1-(3-methyl-5-nitro-imidazol-4-yl)-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(3-methyl-5-nitroimidazol-4-yl)-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-pyridin-1-ium-2-yl-piperazine Formula: C13H17N6O2+ MolecularWeight: 289.31308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)C3=CC=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(CC2)C3=CC=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O2/c1-16-10-15-12(19(20)21)13(16)18-8-6-17(7-9-18)11-4-2-3-5-14-11/h2-5,10H,6-9H2,1H3/p+1