2-(2-ethoxycarbonylphenyl)carbonyloxyethyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2-(2-ethoxycarbonylphenyl)carbonyloxyethyl-trimethyl-azanium; methyl sulfate Openeye Name: 2-(2-ethoxycarbonylbenzoyl)oxyethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-[(2-ethoxycarbonylphenyl)-oxomethoxy]ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-(2-ethoxycarbonylbenzoyl)oxyethyl-trimethylazanium; methyl sulfate Traditional Name: 2-(2-carbethoxybenzoyl)oxyethyl-trimethyl-ammonium; methyl sulfate Formula: C16H25NO8S MolecularWeight: 391.4366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C(=O)OCC[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C(=O)OCC[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H22NO4.CH4O4S/c1-5-19-14(17)12-8-6-7-9-13(12)15(18)20-11-10-16(2,3)4;1-5-6(2,3)4/h6-9H,5,10-11H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1