(3-decylsulfanyl-2-oxidanyl-propyl)-trimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: (3-decylsulfanyl-2-oxidanyl-propyl)-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: (3-decylsulfanyl-2-hydroxy-propyl)-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [3-(decylthio)-2-hydroxypropyl]-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: (3-decylsulfanyl-2-hydroxypropyl)-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: [3-(decylthio)-2-hydroxy-propyl]-trimethyl-ammonium tosylate Formula: C23H43NO4S2 MolecularWeight: 461.72182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36NOS.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h16,18H,5-15H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1