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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26NO.C6H5NO5S/c1-3-20(4-2,17-18-11-7-5-8-12-18)15-16-21-19-13-9-6-10-14-19;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h5-14H,3-4,15-17H2,1-2H3;1-4H,(H,10,11,12)/q+1;/p-1