2-(1-methyl-2,4-dihydroimidazol-1-ium-3-yl)-1-[4-(methylsulfonylamino)phenyl]ethanolate

Systemtic Name: 2-(1-methyl-2,4-dihydroimidazol-1-ium-3-yl)-1-[4-(methylsulfonylamino)phenyl]ethanolate Openeye Name: 1-[4-(methanesulfonamido)phenyl]-2-(1-methyl-2,4-dihydroimidazol-1-ium-3-yl)ethanolate CAS Name: 1-[4-(methanesulfonamido)phenyl]-2-(1-methyl-2,4-dihydroimidazol-1-ium-3-yl)ethanolate IUPAC Name: 1-[4-(methanesulfonamido)phenyl]-2-(1-methyl-2,4-dihydroimidazol-1-ium-3-yl)ethanolate Traditional Name: 1-[4-(methanesulfonamido)phenyl]-2-(3-methyl-3-imidazolin-3-ium-1-yl)ethanolate Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CCN(C1)CC(C2=CC=C(C=C2)NS(=O)(=O)C)[O-]

Isomeric SMILES

C[N+]1=CCN(C1)CC(C2=CC=C(C=C2)NS(=O)(=O)C)[O-]

InChI

InChI=1S/C13H19N3O3S/c1-15-7-8-16(10-15)9-13(17)11-3-5-12(6-4-11)14-20(2,18)19/h3-7,13-14H,8-10H2,1-2H3