benzenesulfonate; 3-bromanylprop-2-ynyl-dimethyl-octyl-azanium

Systemtic Name: benzenesulfonate; 3-bromanylprop-2-ynyl-dimethyl-octyl-azanium Openeye Name: benzenesulfonate; 3-bromoprop-2-ynyl-dimethyl-octyl-ammonium CAS Name: benzenesulfonate; 3-bromoprop-2-ynyl-dimethyl-octylammonium IUPAC Name: benzenesulfonate; 3-bromoprop-2-ynyl-dimethyl-octylazanium Traditional Name: 3-bromoprop-2-ynyl-dimethyl-octyl-ammonium besylate Formula: C19H30BrNO3S MolecularWeight: 432.4154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CC#CBr.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)CC#CBr.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H25BrN.C6H6O3S/c1-4-5-6-7-8-9-12-15(2,3)13-10-11-14;7-10(8,9)6-4-2-1-3-5-6/h4-9,12-13H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1