4-chloranylbenzenesulfonate; 2-(4-ethanoylphenoxy)ethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 4-chloranylbenzenesulfonate; 2-(4-ethanoylphenoxy)ethyl-dimethyl-(phenylmethyl)azanium Openeye Name: 2-(4-acetylphenoxy)ethyl-benzyl-dimethyl-ammonium; 4-chlorobenzenesulfonate CAS Name: 2-(4-acetylphenoxy)ethyl-dimethyl-(phenylmethyl)ammonium; 4-chlorobenzenesulfonate IUPAC Name: 2-(4-acetylphenoxy)ethyl-benzyl-dimethylazanium; 4-chlorobenzenesulfonate Traditional Name: 2-(4-acetylphenoxy)ethyl-benzyl-dimethyl-ammonium; 4-chlorobesylate Formula: C25H28ClNO5S MolecularWeight: 490.01152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24NO2.C6H5ClO3S/c1-16(21)18-9-11-19(12-10-18)22-14-13-20(2,3)15-17-7-5-4-6-8-17;7-5-1-3-6(4-2-5)11(8,9)10/h4-12H,13-15H2,1-3H3;1-4H,(H,8,9,10)/q+1;/p-1