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

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Openeye Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(3-methyl-5-nitroimidazol-4-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C14H16F3N6O2+ MolecularWeight: 357.31105

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H15F3N6O2/c1-20-9-19-12(23(24)25)13(20)22-6-4-21(5-7-22)11-3-2-10(8-18-11)14(15,16)17/h2-3,8-9H,4-7H2,1H3/p+1