dimethyl(dioctadecyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl(dioctadecyl)azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl(dioctadecyl)ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl(dioctadecyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl(dioctadecyl)azanium; 4-methylbenzenesulfonate Traditional Name: dimethyl(distearyl)ammonium tosylate Formula: C45H87NO3S MolecularWeight: 722.24218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H80N.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-38H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1