dimethyl-octadecyl-(1-phenylethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-octadecyl-(1-phenylethyl)azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-octadecyl-(1-phenylethyl)ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-octadecyl-(1-phenylethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-octadecyl-(1-phenylethyl)azanium; 4-methylbenzenesulfonate Traditional Name: dimethyl-(1-phenylethyl)-stearyl-ammonium tosylate Formula: C35H59NO3S MolecularWeight: 573.91286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)C1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)C1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C28H52N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(3,4)27(2)28-24-21-20-22-25-28;1-6-2-4-7(5-3-6)11(8,9)10/h20-22,24-25,27H,5-19,23,26H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1