2-cyclohexylcarbonyloxyethyl-dimethyl-(phenylmethyl)azanium; 3-nitrobenzenesulfonate

Systemtic Name: 2-cyclohexylcarbonyloxyethyl-dimethyl-(phenylmethyl)azanium; 3-nitrobenzenesulfonate Openeye Name: benzyl-[2-(cyclohexanecarbonyloxy)ethyl]-dimethyl-ammonium; 3-nitrobenzenesulfonate CAS Name: 2-[cyclohexyl(oxo)methoxy]ethyl-dimethyl-(phenylmethyl)ammonium; 3-nitrobenzenesulfonate IUPAC Name: benzyl-[2-(cyclohexanecarbonyloxy)ethyl]-dimethylazanium; 3-nitrobenzenesulfonate Traditional Name: benzyl-[2-(cyclohexanecarbonyloxy)ethyl]-dimethyl-ammonium; 3-nitrobesylate Formula: C24H32N2O7S MolecularWeight: 492.58508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC(=O)C1CCCCC1)CC2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(CCOC(=O)C1CCCCC1)CC2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H28NO2.C6H5NO5S/c1-19(2,15-16-9-5-3-6-10-16)13-14-21-18(20)17-11-7-4-8-12-17;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h3,5-6,9-10,17H,4,7-8,11-15H2,1-2H3;1-4H,(H,10,11,12)/q+1;/p-1