2,3-bis(phenoxycarbonyloxy)propyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2,3-bis(phenoxycarbonyloxy)propyl-trimethyl-azanium; methyl sulfate Openeye Name: 2,3-bis(phenoxycarbonyloxy)propyl-trimethyl-ammonium; methyl sulfate CAS Name: 2,3-bis[oxo(phenoxy)methoxy]propyl-trimethylammonium; methyl sulfate IUPAC Name: 2,3-bis(phenoxycarbonyloxy)propyl-trimethylazanium; methyl sulfate Traditional Name: 2,3-dicarbophenoxyoxypropyl(trimethyl)ammonium; methyl sulfate Formula: C21H27NO10S MolecularWeight: 485.50478

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(COC(=O)OC1=CC=CC=C1)OC(=O)OC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CC(COC(=O)OC1=CC=CC=C1)OC(=O)OC2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H24NO6.CH4O4S/c1-21(2,3)14-18(27-20(23)26-17-12-8-5-9-13-17)15-24-19(22)25-16-10-6-4-7-11-16;1-5-6(2,3)4/h4-13,18H,14-15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1