dimethyl(octadecyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl(octadecyl)azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl(octadecyl)ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl(octadecyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl(octadecyl)azanium; 4-methylbenzenesulfonate Traditional Name: dimethyl(stearyl)ammonium tosylate Formula: C27H51NO3S MolecularWeight: 469.76374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H43N.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-20H2,1-3H3;2-5H,1H3,(H,8,9,10)