1-(3-hydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone; 4-methylbenzenesulfonate

Systemtic Name: 1-(3-hydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone; 4-methylbenzenesulfonate Openeye Name: 1-(3-hydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone; 4-methylbenzenesulfonate CAS Name: 1-(3-hydroxyphenyl)-2-(3-methyl-1-imidazol-3-iumyl)ethanone; 4-methylbenzenesulfonate IUPAC Name: 1-(3-hydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone; 4-methylbenzenesulfonate Traditional Name: 1-(3-hydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone tosylate Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)CC(=O)C2=CC(=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)CC(=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C12H12N2O2.C7H8O3S/c1-13-5-6-14(9-13)8-12(16)10-3-2-4-11(15)7-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,9H,8H2,1H3;2-5H,1H3,(H,8,9,10)