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

Systemtic Name: dimethyl-(2-phenoxyethyl)-(phenylmethyl)azanium; 3-nitrobenzenesulfonate Openeye Name: benzyl-dimethyl-(2-phenoxyethyl)ammonium; 3-nitrobenzenesulfonate CAS Name: dimethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium; 3-nitrobenzenesulfonate IUPAC Name: benzyl-dimethyl-(2-phenoxyethyl)azanium; 3-nitrobenzenesulfonate Traditional Name: benzyl-dimethyl-(2-phenoxyethyl)ammonium; 3-nitrobesylate Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H22NO.C6H5NO5S/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h3-12H,13-15H2,1-2H3;1-4H,(H,10,11,12)/q+1;/p-1