[4-[bis(2-methylpropoxy)phosphoryl-oxidanyl-methyl]phenyl]-trimethyl-azanium; methyl sulfate

Systemtic Name: [4-[bis(2-methylpropoxy)phosphoryl-oxidanyl-methyl]phenyl]-trimethyl-azanium; methyl sulfate Openeye Name: [4-[diisobutoxyphosphoryl(hydroxy)methyl]phenyl]-trimethyl-ammonium; methyl sulfate CAS Name: [4-[bis(2-methylpropoxy)phosphoryl-hydroxymethyl]phenyl]-trimethylammonium; methyl sulfate IUPAC Name: [4-[bis(2-methylpropoxy)phosphoryl-hydroxymethyl]phenyl]-trimethylazanium; methyl sulfate Traditional Name: [4-[diisobutoxyphosphoryl(hydroxy)methyl]phenyl]-trimethyl-ammonium; methyl sulfate Formula: C19H36NO8PS MolecularWeight: 469.529801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COP(=O)(C(C1=CC=C(C=C1)[N+](C)(C)C)O)OCC(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)COP(=O)(C(C1=CC=C(C=C1)[N+](C)(C)C)O)OCC(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H33NO4P.CH4O4S/c1-14(2)12-22-24(21,23-13-15(3)4)18(20)16-8-10-17(11-9-16)19(5,6)7;1-5-6(2,3)4/h8-11,14-15,18,20H,12-13H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1