2-[[1-(4-ethylhexylsulfanyl)-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1-(4-ethylhexylsulfanyl)-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(4-ethylhexylsulfanylmethyl)-2-(2-methylprop-2-enoyloxy)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-(4-ethylhexylthio)-3-(2-methyl-1-oxoprop-2-enoxy)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-(4-ethylhexylsulfanyl)-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-[(4-ethylhexylthio)methyl]-2-methacryloyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C20H41NO6PS+ MolecularWeight: 454.581401

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCSCC(COC(=O)C(=C)C)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCC(CC)CCCSCC(COC(=O)C(=C)C)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C20H40NO6PS/c1-8-18(9-2)11-10-14-29-16-19(15-25-20(22)17(3)4)27-28(23,24)26-13-12-21(5,6)7/h18-19H,3,8-16H2,1-2,4-7H3/p+1