bis(2-cyclohexylcarbonyloxyethyl)-methyl-(phenylmethyl)azanium; 3-nitrobenzenesulfonate

Systemtic Name: bis(2-cyclohexylcarbonyloxyethyl)-methyl-(phenylmethyl)azanium; 3-nitrobenzenesulfonate Openeye Name: benzyl-bis[2-(cyclohexanecarbonyloxy)ethyl]-methyl-ammonium; 3-nitrobenzenesulfonate CAS Name: bis[2-[cyclohexyl(oxo)methoxy]ethyl]-methyl-(phenylmethyl)ammonium; 3-nitrobenzenesulfonate IUPAC Name: benzyl-bis[2-(cyclohexanecarbonyloxy)ethyl]-methylazanium; 3-nitrobenzenesulfonate Traditional Name: benzyl-bis[2-(cyclohexanecarbonyloxy)ethyl]-methyl-ammonium; 3-nitrobesylate Formula: C32H44N2O9S MolecularWeight: 632.76476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCOC(=O)C1CCCCC1)(CCOC(=O)C2CCCCC2)CC3=CC=CC=C3.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](CCOC(=O)C1CCCCC1)(CCOC(=O)C2CCCCC2)CC3=CC=CC=C3.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H40NO4.C6H5NO5S/c1-27(21-22-11-5-2-6-12-22,17-19-30-25(28)23-13-7-3-8-14-23)18-20-31-26(29)24-15-9-4-10-16-24;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h2,5-6,11-12,23-24H,3-4,7-10,13-21H2,1H3;1-4H,(H,10,11,12)/q+1;/p-1