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

Systemtic Name: 1-(4-chlorophenyl)carbonyloxyethyl-bis[(2-methylphenyl)methyl]azanium; 3-nitrobenzenesulfonate Openeye Name: 1-(4-chlorobenzoyl)oxyethyl-bis(o-tolylmethyl)ammonium; 3-nitrobenzenesulfonate CAS Name: 1-[(4-chlorophenyl)-oxomethoxy]ethyl-bis[(2-methylphenyl)methyl]ammonium; 3-nitrobenzenesulfonate IUPAC Name: 1-(4-chlorobenzoyl)oxyethyl-bis[(2-methylphenyl)methyl]azanium; 3-nitrobenzenesulfonate Traditional Name: 1-(4-chlorobenzoyl)oxyethyl-bis(2-methylbenzyl)ammonium; 3-nitrobesylate Formula: C31H31ClN2O7S MolecularWeight: 611.10504

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H26ClNO2.C6H5NO5S/c1-18-8-4-6-10-22(18)16-27(17-23-11-7-5-9-19(23)2)20(3)29-25(28)21-12-14-24(26)15-13-21;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h4-15,20H,16-17H2,1-3H3;1-4H,(H,10,11,12)