dibutyl(diphenyl)azanium; 2-methylbenzenesulfonate

Systemtic Name: dibutyl(diphenyl)azanium; 2-methylbenzenesulfonate Openeye Name: dibutyl(diphenyl)ammonium; 2-methylbenzenesulfonate CAS Name: dibutyl(diphenyl)ammonium; 2-methylbenzenesulfonate IUPAC Name: dibutyl(diphenyl)azanium; 2-methylbenzenesulfonate Traditional Name: dibutyl(diphenyl)ammonium; 2-methylbesylate Formula: C27H35NO3S MolecularWeight: 453.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(C1=CC=CC=C1)C2=CC=CC=C2.CC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(C1=CC=CC=C1)C2=CC=CC=C2.CC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C20H28N.C7H8O3S/c1-3-5-17-21(18-6-4-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20;1-6-4-2-3-5-7(6)11(8,9)10/h7-16H,3-6,17-18H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1