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

Systemtic Name: 2-[[di(propan-2-yl)amino]-prop-2-enoxy-phosphanyl]oxyethyl-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-[allyloxy-(diisopropylamino)phosphanyl]oxyethyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphino]oxyethyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxyethyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-[allyloxy-(diisopropylamino)phosphino]oxyethyl-trimethyl-ammonium tosylate Formula: C21H39N2O5PS MolecularWeight: 462.583521

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C14H32N2O2P.C7H8O3S/c1-9-11-17-19(15(13(2)3)14(4)5)18-12-10-16(6,7)8;1-6-2-4-7(5-3-6)11(8,9)10/h9,13-14H,1,10-12H2,2-8H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1