[[1-[bis(methylsulfonyl)amino]imidazol-1-ium-1-yl]-pyridin-2-yl-methyl] ethanoate

Systemtic Name: [[1-[bis(methylsulfonyl)amino]imidazol-1-ium-1-yl]-pyridin-2-yl-methyl] ethanoate Openeye Name: [[1-[bis(methylsulfonyl)amino]imidazol-1-ium-1-yl]-(2-pyridyl)methyl] acetate CAS Name: acetic acid [[1-[bis(methylsulfonyl)amino]-1-imidazol-1-iumyl]-(2-pyridinyl)methyl] ester IUPAC Name: [[1-[bis(methylsulfonyl)amino]imidazol-1-ium-1-yl]-pyridin-2-ylmethyl] acetate Traditional Name: acetic acid [[1-(dimesylamino)imidazol-1-ium-1-yl]-(2-pyridyl)methyl] ester Formula: C13H17N4O6S2+ MolecularWeight: 389.42728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=N1)[N+]2(C=CN=C2)N(S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(=O)OC(C1=CC=CC=N1)[N+]2(C=CN=C2)N(S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C13H17N4O6S2/c1-11(18)23-13(12-6-4-5-7-15-12)17(9-8-14-10-17)16(24(2,19)20)25(3,21)22/h4-10,13H,1-3H3/q+1