benzenesulfonate; 3-bromanylprop-2-ynyl-tris(6-methylheptyl)azanium

Systemtic Name: benzenesulfonate; 3-bromanylprop-2-ynyl-tris(6-methylheptyl)azanium Openeye Name: benzenesulfonate; 3-bromoprop-2-ynyl-tris(6-methylheptyl)ammonium CAS Name: benzenesulfonate; 3-bromoprop-2-ynyl-tris(6-methylheptyl)ammonium IUPAC Name: benzenesulfonate; 3-bromoprop-2-ynyl-tris(6-methylheptyl)azanium Traditional Name: 3-bromoprop-2-ynyl-tris(6-methylheptyl)ammonium besylate Formula: C33H58BrNO3S MolecularWeight: 628.78752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53BrN.C6H6O3S/c1-25(2)17-10-7-13-21-29(24-16-20-28,22-14-8-11-18-26(3)4)23-15-9-12-19-27(5)6;7-10(8,9)6-4-2-1-3-5-6/h25-27H,7-15,17-19,21-24H2,1-6H3;1-5H,(H,7,8,9)/q+1;/p-1