4-chloranylbenzenesulfonate; 1-(4-chloranyl-2-ethanoyl-phenoxy)ethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 4-chloranylbenzenesulfonate; 1-(4-chloranyl-2-ethanoyl-phenoxy)ethyl-dimethyl-(phenylmethyl)azanium Openeye Name: 1-(2-acetyl-4-chloro-phenoxy)ethyl-benzyl-dimethyl-ammonium; 4-chlorobenzenesulfonate CAS Name: 1-(2-acetyl-4-chlorophenoxy)ethyl-dimethyl-(phenylmethyl)ammonium; 4-chlorobenzenesulfonate IUPAC Name: 1-(2-acetyl-4-chlorophenoxy)ethyl-benzyl-dimethylazanium; 4-chlorobenzenesulfonate Traditional Name: 1-(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([N+](C)(C)CC1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)C(=O)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

CC([N+](C)(C)CC1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)C(=O)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C19H23ClNO2.C6H5ClO3S/c1-14(22)18-12-17(20)10-11-19(18)23-15(2)21(3,4)13-16-8-6-5-7-9-16;7-5-1-3-6(4-2-5)11(8,9)10/h5-12,15H,13H2,1-4H3;1-4H,(H,8,9,10)/q+1;/p-1