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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CCOC2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CCOC2=CC=CC=C2.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H21NO.C6H5NO5S/c1-18(2)14-16-9-7-6-8-15(16)12-13-19-17-10-4-3-5-11-17;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h3-11H,12-14H2,1-2H3;1-4H,(H,10,11,12)