N-[4-[2-(3-methyl-1H-imidazol-3-ium-2-yl)-1-oxidanyl-ethyl]phenyl]methanesulfonamide chloride

Systemtic Name: N-[4-[2-(3-methyl-1H-imidazol-3-ium-2-yl)-1-oxidanyl-ethyl]phenyl]methanesulfonamide chloride Openeye Name: N-[4-[1-hydroxy-2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]phenyl]methanesulfonamide chloride CAS Name: N-[4-[1-hydroxy-2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]phenyl]methanesulfonamide chloride IUPAC Name: N-[4-[1-hydroxy-2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]phenyl]methanesulfonamide chloride Traditional Name: N-[4-[1-hydroxy-2-(3-methyl-1H-imidazol-3-ium-2-yl)ethyl]phenyl]methanesulfonamide chloride Formula: C13H18ClN3O3S MolecularWeight: 331.81832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S.ClH/c1-16-8-7-14-13(16)9-12(17)10-3-5-11(6-4-10)15-20(2,18)19;/h3-8,12,15,17H,9H2,1-2H3;1H