[2-(2-benzamidoethyl)phenyl]methyl-dimethyl-azanium; 3-nitrobenzenesulfonate

Systemtic Name: [2-(2-benzamidoethyl)phenyl]methyl-dimethyl-azanium; 3-nitrobenzenesulfonate Openeye Name: [2-(2-benzamidoethyl)phenyl]methyl-dimethyl-ammonium; 3-nitrobenzenesulfonate CAS Name: [2-(2-benzamidoethyl)phenyl]methyl-dimethylammonium; 3-nitrobenzenesulfonate IUPAC Name: [2-(2-benzamidoethyl)phenyl]methyl-dimethylazanium; 3-nitrobenzenesulfonate Traditional Name: [2-(2-benzamidoethyl)benzyl]-dimethyl-ammonium; 3-nitrobesylate Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CCNC(=O)C2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CCNC(=O)C2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O.C6H5NO5S/c1-20(2)14-17-11-7-6-8-15(17)12-13-19-18(21)16-9-4-3-5-10-16;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h3-11H,12-14H2,1-2H3,(H,19,21);1-4H,(H,10,11,12)