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

Systemtic Name: N-[4-[1-(2-oxidanylideneethyl)-3-propan-2-yl-imidazol-1-ium-2-yl]phenyl]methanesulfonamide chloride Openeye Name: N-[4-[1-isopropyl-3-(2-oxoethyl)imidazol-3-ium-2-yl]phenyl]methanesulfonamide chloride CAS Name: N-[4-[1-(2-oxoethyl)-3-propan-2-yl-2-imidazol-1-iumyl]phenyl]methanesulfonamide chloride IUPAC Name: N-[4-[1-(2-oxoethyl)-3-propan-2-ylimidazol-1-ium-2-yl]phenyl]methanesulfonamide chloride Traditional Name: N-[4-[1-isopropyl-3-(2-ketoethyl)imidazol-3-ium-2-yl]phenyl]methanesulfonamide chloride Formula: C15H20ClN3O3S MolecularWeight: 357.8556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C[N+](=C1C2=CC=C(C=C2)NS(=O)(=O)C)CC=O.[Cl-]

Isomeric SMILES

CC(C)N1C=C[N+](=C1C2=CC=C(C=C2)NS(=O)(=O)C)CC=O.[Cl-]

InChI

InChI=1S/C15H19N3O3S.ClH/c1-12(2)18-9-8-17(10-11-19)15(18)13-4-6-14(7-5-13)16-22(3,20)21;/h4-9,11-12H,10H2,1-3H3;1H