N-[4-[1-methyl-3-(2-oxidanylideneethyl)imidazol-1-ium-2-yl]phenyl]methanesulfonamide bromide

Systemtic Name: N-[4-[1-methyl-3-(2-oxidanylideneethyl)imidazol-1-ium-2-yl]phenyl]methanesulfonamide bromide Openeye Name: N-[4-[1-methyl-3-(2-oxoethyl)imidazol-1-ium-2-yl]phenyl]methanesulfonamide bromide CAS Name: N-[4-[1-methyl-3-(2-oxoethyl)-2-imidazol-1-iumyl]phenyl]methanesulfonamide bromide IUPAC Name: N-[4-[1-methyl-3-(2-oxoethyl)imidazol-1-ium-2-yl]phenyl]methanesulfonamide bromide Traditional Name: N-[4-[1-(2-ketoethyl)-3-methyl-imidazol-3-ium-2-yl]phenyl]methanesulfonamide bromide Formula: C13H16BrN3O3S MolecularWeight: 374.25344

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C=C1)CC=O)C2=CC=C(C=C2)NS(=O)(=O)C.[Br-]

Isomeric SMILES

C[N+]1=C(N(C=C1)CC=O)C2=CC=C(C=C2)NS(=O)(=O)C.[Br-]

InChI

InChI=1S/C13H15N3O3S.BrH/c1-15-7-8-16(9-10-17)13(15)11-3-5-12(6-4-11)14-20(2,18)19;/h3-8,10H,9H2,1-2H3;1H