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

Systemtic Name: N-[4-[1-(3-methylimidazol-3-ium-1-yl)-2-oxidanyl-propan-2-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[1-hydroxy-1-methyl-2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-hydroxy-1-(3-methyl-1-imidazol-3-iumyl)propan-2-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-hydroxy-1-(3-methylimidazol-3-ium-1-yl)propan-2-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-hydroxy-1-methyl-2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]methanesulfonamide Formula: C14H20N3O3S+ MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C[N+](=C1)C)(C2=CC=C(C=C2)NS(=O)(=O)C)O

Isomeric SMILES

CC(CN1C=C[N+](=C1)C)(C2=CC=C(C=C2)NS(=O)(=O)C)O

InChI

InChI=1S/C14H20N3O3S/c1-14(18,10-17-9-8-16(2)11-17)12-4-6-13(7-5-12)15-21(3,19)20/h4-9,11,15,18H,10H2,1-3H3/q+1