dodecyl-dimethyl-phenethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: dodecyl-dimethyl-phenethyl-azanium; 4-methylbenzenesulfonate Openeye Name: dodecyl-dimethyl-phenethyl-ammonium; 4-methylbenzenesulfonate CAS Name: dodecyl-dimethyl-phenethylammonium; 4-methylbenzenesulfonate IUPAC Name: dodecyl-dimethyl-phenethylazanium; 4-methylbenzenesulfonate Traditional Name: lauryl-dimethyl-phenethyl-ammonium tosylate Formula: C29H47NO3S MolecularWeight: 489.75338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H40N.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-16-20-23(2,3)21-19-22-17-14-13-15-18-22;1-6-2-4-7(5-3-6)11(8,9)10/h13-15,17-18H,4-12,16,19-21H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1