N-[4-[(1R)-2-(3-methylimidazol-3-ium-1-yl)-1-oxidanyl-ethyl]phenyl]methanesulfonamide chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N3O3S.ClH/c1-15-7-8-16(10-15)9-13(17)11-3-5-12(6-4-11)14-20(2,18)19;/h3-8,10,13-14,17H,9H2,1-2H3;1H/q+1;/p-1/t13-;/m0./s1