dimethyl-bis[2-(phenylcarbonyloxy)ethyl]azanium; 3-nitrobenzenesulfonate

Systemtic Name: dimethyl-bis[2-(phenylcarbonyloxy)ethyl]azanium; 3-nitrobenzenesulfonate Openeye Name: bis(2-benzoyloxyethyl)-dimethyl-ammonium; 3-nitrobenzenesulfonate CAS Name: bis(2-benzoyloxyethyl)-dimethylammonium; 3-nitrobenzenesulfonate IUPAC Name: bis(2-benzoyloxyethyl)-dimethylazanium; 3-nitrobenzenesulfonate Traditional Name: bis(2-benzoyloxyethyl)-dimethyl-ammonium; 3-nitrobesylate Formula: C26H28N2O9S MolecularWeight: 544.57352

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC(=O)C1=CC=CC=C1)CCOC(=O)C2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(CCOC(=O)C1=CC=CC=C1)CCOC(=O)C2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H24NO4.C6H5NO5S/c1-21(2,13-15-24-19(22)17-9-5-3-6-10-17)14-16-25-20(23)18-11-7-4-8-12-18;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h3-12H,13-16H2,1-2H3;1-4H,(H,10,11,12)/q+1;/p-1