1-(4-methoxyphenyl)carbonyloxyethyl-bis[(2-methylphenyl)methyl]azanium; 3-nitrobenzenesulfonate

Systemtic Name: 1-(4-methoxyphenyl)carbonyloxyethyl-bis[(2-methylphenyl)methyl]azanium; 3-nitrobenzenesulfonate Openeye Name: 1-(4-methoxybenzoyl)oxyethyl-bis(o-tolylmethyl)ammonium; 3-nitrobenzenesulfonate CAS Name: 1-[(4-methoxyphenyl)-oxomethoxy]ethyl-bis[(2-methylphenyl)methyl]ammonium; 3-nitrobenzenesulfonate IUPAC Name: 1-(4-methoxybenzoyl)oxyethyl-bis[(2-methylphenyl)methyl]azanium; 3-nitrobenzenesulfonate Traditional Name: bis(2-methylbenzyl)-(1-p-anisoyloxyethyl)ammonium; 3-nitrobesylate Formula: C32H34N2O8S MolecularWeight: 606.68596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC2=CC=CC=C2C)C(C)OC(=O)C3=CC=C(C=C3)OC.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC2=CC=CC=C2C)C(C)OC(=O)C3=CC=C(C=C3)OC.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H29NO3.C6H5NO5S/c1-19-9-5-7-11-23(19)17-27(18-24-12-8-6-10-20(24)2)21(3)30-26(28)22-13-15-25(29-4)16-14-22;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h5-16,21H,17-18H2,1-4H3;1-4H,(H,10,11,12)