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3-bromanylprop-2-ynyl-methyl-dioctyl-azanium; 4-methylbenzenesulfonate

3-bromanylprop-2-ynyl-methyl-dioctyl-azanium; 4-methylbenzenesulfonate

Systemtic Name:3-bromanylprop-2-ynyl-methyl-dioctyl-azanium; 4-methylbenzenesulfonate
Openeye Name:3-bromoprop-2-ynyl-methyl-dioctyl-ammonium; 4-methylbenzenesulfonate
CAS Name:3-bromoprop-2-ynyl-methyl-dioctylammonium; 4-methylbenzenesulfonate
IUPAC Name:3-bromoprop-2-ynyl-methyl-dioctylazanium; 4-methylbenzenesulfonate
Traditional Name:3-bromoprop-2-ynyl-methyl-dioctyl-ammonium tosylate
Formula: C27H46BrNO3S
MolecularWeight: 544.62804
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H39BrN.C7H8O3S/c1-4-6-8-10-12-14-18-22(3,20-16-17-21)19-15-13-11-9-7-5-2;1-6-2-4-7(5-3-6)11(8,9)10/h4-15,18-20H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


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