2-[[di(propan-2-yl)amino]-(2-ethanoylsulfanylethoxy)phosphanyl]oxyethyl-trimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-[[di(propan-2-yl)amino]-(2-ethanoylsulfanylethoxy)phosphanyl]oxyethyl-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-[2-acetylsulfanylethoxy-(diisopropylamino)phosphanyl]oxyethyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2-[2-(acetylthio)ethoxy-[di(propan-2-yl)amino]phosphino]oxyethyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-[2-acetylsulfanylethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-[2-(acetylthio)ethoxy-(diisopropylamino)phosphino]oxyethyl-trimethyl-ammonium tosylate Formula: C22H41N2O6PS2 MolecularWeight: 524.674501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)N(C(C)C)P(OCC[N+](C)(C)C)OCCSC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)N(C(C)C)P(OCC[N+](C)(C)C)OCCSC(=O)C

InChI

InChI=1S/C15H34N2O3PS.C7H8O3S/c1-13(2)16(14(3)4)21(19-10-9-17(6,7)8)20-11-12-22-15(5)18;1-6-2-4-7(5-3-6)11(8,9)10/h13-14H,9-12H2,1-8H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1