3-bromanylprop-2-ynyl-methyl-dioctyl-azanium; methylbenzene

Systemtic Name: 3-bromanylprop-2-ynyl-methyl-dioctyl-azanium; methylbenzene Openeye Name: 3-bromoprop-2-ynyl-methyl-dioctyl-ammonium; toluene CAS Name: 3-bromoprop-2-ynyl-methyl-dioctylammonium; toluene IUPAC Name: 3-bromoprop-2-ynyl-methyl-dioctylazanium; toluene Traditional Name: 3-bromoprop-2-ynyl-methyl-dioctyl-ammonium; toluene Formula: C27H47BrN+ MolecularWeight: 465.57278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H39BrN.C7H8/c1-4-6-8-10-12-14-18-22(3,20-16-17-21)19-15-13-11-9-7-5-2;1-7-5-3-2-4-6-7/h4-15,18-20H2,1-3H3;2-6H,1H3/q+1;