[3-(dodecylamino)-2-oxidanyl-propyl]-trimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: [3-(dodecylamino)-2-oxidanyl-propyl]-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: [3-(dodecylamino)-2-hydroxy-propyl]-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [3-(dodecylamino)-2-hydroxypropyl]-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: [3-(dodecylamino)-2-hydroxypropyl]-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: [2-hydroxy-3-(laurylamino)propyl]-trimethyl-ammonium tosylate Formula: C25H48N2O4S MolecularWeight: 472.72462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H41N2O.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-19-16-18(21)17-20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h18-19,21H,5-17H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1