ethyl-dimethyl-octadecyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl-dimethyl-octadecyl-azanium; 4-methylbenzenesulfonate Openeye Name: ethyl-dimethyl-octadecyl-ammonium; 4-methylbenzenesulfonate CAS Name: ethyl-dimethyl-octadecylammonium; 4-methylbenzenesulfonate IUPAC Name: ethyl-dimethyl-octadecylazanium; 4-methylbenzenesulfonate Traditional Name: ethyl-dimethyl-stearyl-ammonium tosylate Formula: C29H55NO3S MolecularWeight: 497.8169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H48N.C7H8O3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-22H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1