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3-bromanylprop-2-ynyl(trihexyl)azanium; 4-methylbenzenesulfonate

3-bromanylprop-2-ynyl(trihexyl)azanium; 4-methylbenzenesulfonate

Systemtic Name:3-bromanylprop-2-ynyl(trihexyl)azanium; 4-methylbenzenesulfonate
Openeye Name:3-bromoprop-2-ynyl(trihexyl)ammonium; 4-methylbenzenesulfonate
CAS Name:3-bromoprop-2-ynyl(trihexyl)ammonium; 4-methylbenzenesulfonate
IUPAC Name:3-bromoprop-2-ynyl(trihexyl)azanium; 4-methylbenzenesulfonate
Traditional Name:3-bromoprop-2-ynyl(trihexyl)ammonium tosylate
Formula: C28H48BrNO3S
MolecularWeight: 558.65462
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CCCCCC)CC#CBr.CC1=CC=C(C=C1)S(=O)(=O)[O-]


Isomeric SMILES

CCCCCC[N+](CCCCCC)(CCCCCC)CC#CBr.CC1=CC=C(C=C1)S(=O)(=O)[O-]


InChI

InChI=1S/C21H41BrN.C7H8O3S/c1-4-7-10-13-18-23(21-16-17-22,19-14-11-8-5-2)20-15-12-9-6-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-15,18-21H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


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