methanesulfonate; 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium

Systemtic Name: methanesulfonate; 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium Openeye Name: methanesulfonate; 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium CAS Name: methanesulfonate; 1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]pyridin-1-ium IUPAC Name: methanesulfonate; 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyridin-1-ium Traditional Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridin-1-ium mesylate Formula: C12H16N4O5S MolecularWeight: 328.34424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC[N+]2=CC=CC=C2)[N+](=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC[N+]2=CC=CC=C2)[N+](=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C11H13N4O2.CH4O3S/c1-10-12-9-11(15(16)17)14(10)8-7-13-5-3-2-4-6-13;1-5(2,3)4/h2-6,9H,7-8H2,1H3;1H3,(H,2,3,4)/q+1;/p-1