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

Systemtic Name: N-[4-[2-(3-methylimidazol-3-ium-1-yl)-1-oxidanyl-ethyl]phenyl]ethanesulfonamide chloride Openeye Name: N-[4-[1-hydroxy-2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]ethanesulfonamide chloride CAS Name: N-[4-[1-hydroxy-2-(3-methyl-1-imidazol-3-iumyl)ethyl]phenyl]ethanesulfonamide chloride IUPAC Name: N-[4-[1-hydroxy-2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]ethanesulfonamide chloride Traditional Name: N-[4-[1-hydroxy-2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]ethanesulfonamide chloride Formula: C14H20ClN3O3S MolecularWeight: 345.8449

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=C(C=C1)C(CN2C=C[N+](=C2)C)O.[Cl-]

Isomeric SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)C(CN2C=C[N+](=C2)C)O.[Cl-]

InChI

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