dinaphthalen-2-yl-(2-phenoxyethyl)-(phenylmethyl)azanium; 3-nitrobenzenesulfonate

Systemtic Name: dinaphthalen-2-yl-(2-phenoxyethyl)-(phenylmethyl)azanium; 3-nitrobenzenesulfonate Openeye Name: benzyl-bis(2-naphthyl)-(2-phenoxyethyl)ammonium; 3-nitrobenzenesulfonate CAS Name: bis(2-naphthalenyl)-(2-phenoxyethyl)-(phenylmethyl)ammonium; 3-nitrobenzenesulfonate IUPAC Name: benzyl-dinaphthalen-2-yl-(2-phenoxyethyl)azanium; 3-nitrobenzenesulfonate Traditional Name: benzyl-bis(2-naphthyl)-(2-phenoxyethyl)ammonium; 3-nitrobesylate Formula: C41H34N2O6S MolecularWeight: 682.78346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+](CCOC2=CC=CC=C2)(C3=CC4=CC=CC=C4C=C3)C5=CC6=CC=CC=C6C=C5.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+](CCOC2=CC=CC=C2)(C3=CC4=CC=CC=C4C=C3)C5=CC6=CC=CC=C6C=C5.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C35H30NO.C6H5NO5S/c1-3-11-28(12-4-1)27-36(23-24-37-35-17-5-2-6-18-35,33-21-19-29-13-7-9-15-31(29)25-33)34-22-20-30-14-8-10-16-32(30)26-34;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-22,25-26H,23-24,27H2;1-4H,(H,10,11,12)/q+1;/p-1