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

Systemtic Name: diethyl-[[2-(2-phenoxyethyl)phenyl]methyl]azanium; 3-nitrobenzenesulfonate Openeye Name: diethyl-[[2-(2-phenoxyethyl)phenyl]methyl]ammonium; 3-nitrobenzenesulfonate CAS Name: diethyl-[[2-(2-phenoxyethyl)phenyl]methyl]ammonium; 3-nitrobenzenesulfonate IUPAC Name: diethyl-[[2-(2-phenoxyethyl)phenyl]methyl]azanium; 3-nitrobenzenesulfonate Traditional Name: diethyl-[2-(2-phenoxyethyl)benzyl]ammonium; 3-nitrobesylate Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO.C6H5NO5S/c1-3-20(4-2)16-18-11-9-8-10-17(18)14-15-21-19-12-6-5-7-13-19;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h5-13H,3-4,14-16H2,1-2H3;1-4H,(H,10,11,12)