3-[1-[2-(2-methyl-4-nitro-imidazol-2-yl)ethyl]-3-nitro-1,2,4-triazol-1-ium-3-yl]propane-1-sulfonamide

Systemtic Name: 3-[1-[2-(2-methyl-4-nitro-imidazol-2-yl)ethyl]-3-nitro-1,2,4-triazol-1-ium-3-yl]propane-1-sulfonamide Openeye Name: 3-[1-[2-(2-methyl-4-nitro-imidazol-2-yl)ethyl]-3-nitro-1,2,4-triazol-1-ium-3-yl]propane-1-sulfonamide CAS Name: 3-[1-[2-(2-methyl-4-nitro-2-imidazolyl)ethyl]-3-nitro-1,2,4-triazol-1-ium-3-yl]-1-propanesulfonamide IUPAC Name: 3-[1-[2-(2-methyl-4-nitroimidazol-2-yl)ethyl]-3-nitro-1,2,4-triazol-1-ium-3-yl]propane-1-sulfonamide Traditional Name: 3-[1-[2-(2-methyl-4-nitro-imidazol-2-yl)ethyl]-3-nitro-1,2,4-triazol-1-ium-3-yl]propane-1-sulfonamide Formula: C11H17N8O6S+ MolecularWeight: 389.36768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=CC(=N1)[N+](=O)[O-])CC[N+]2=NC(N=C2)(CCCS(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1(N=CC(=N1)[N+](=O)[O-])CC[N+]2=NC(N=C2)(CCCS(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H17N8O6S/c1-10(13-7-9(15-10)18(20)21)4-5-17-8-14-11(16-17,19(22)23)3-2-6-26(12,24)25/h7-8H,2-6H2,1H3,(H2,12,24,25)/q+1