azanyl-hexadecyl-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: azanyl-hexadecyl-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: amino-hexadecyl-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: amino-hexadecyl-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: amino-hexadecyl-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: amino-cetyl-dimethyl-ammonium tosylate Formula: C25H48N2O3S MolecularWeight: 456.72522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H41N2.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(2,3)19;1-6-2-4-7(5-3-6)11(8,9)10/h4-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1