methanesulfonate; 1-(4-phenylphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone

Systemtic Name: methanesulfonate; 1-(4-phenylphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone Openeye Name: methanesulfonate; 1-(4-phenylphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone CAS Name: methanesulfonate; 1-(4-phenylphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone IUPAC Name: methanesulfonate; 1-(4-phenylphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone Traditional Name: 1-(4-phenylphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone mesylate Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CCC2=C(C1)[N+](=CS2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)[O-].C1CCC2=C(C1)[N+](=CS2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20NOS.CH4O3S/c23-20(14-22-15-24-21-9-5-4-8-19(21)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16;1-5(2,3)4/h1-3,6-7,10-13,15H,4-5,8-9,14H2;1H3,(H,2,3,4)/q+1;/p-1