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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N3O3S.ClH/c1-16-9-10-17(11-16)8-7-14(18)12-3-5-13(6-4-12)15-21(2,19)20;/h3-6,9-11,14-15,18H,7-8H2,1-2H3;1H/q+1;/p-1