4-chloranylbenzenesulfonate; 2-(4-chloranyl-2-ethanoyl-phenoxy)ethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 4-chloranylbenzenesulfonate; 2-(4-chloranyl-2-ethanoyl-phenoxy)ethyl-dimethyl-(phenylmethyl)azanium Openeye Name: 2-(2-acetyl-4-chloro-phenoxy)ethyl-benzyl-dimethyl-ammonium; 4-chlorobenzenesulfonate CAS Name: 2-(2-acetyl-4-chlorophenoxy)ethyl-dimethyl-(phenylmethyl)ammonium; 4-chlorobenzenesulfonate IUPAC Name: 2-(2-acetyl-4-chlorophenoxy)ethyl-benzyl-dimethylazanium; 4-chlorobenzenesulfonate Traditional Name: 2-(2-acetyl-4-chloro-phenoxy)ethyl-benzyl-dimethyl-ammonium; 4-chlorobesylate Formula: C25H27Cl2NO5S MolecularWeight: 524.45658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Cl)OCC[N+](C)(C)CC2=CC=CC=C2.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Cl)OCC[N+](C)(C)CC2=CC=CC=C2.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C19H23ClNO2.C6H5ClO3S/c1-15(22)18-13-17(20)9-10-19(18)23-12-11-21(2,3)14-16-7-5-4-6-8-16;7-5-1-3-6(4-2-5)11(8,9)10/h4-10,13H,11-12,14H2,1-3H3;1-4H,(H,8,9,10)/q+1;/p-1