3-bromanylprop-2-ynyl(tridodecyl)azanium; methylbenzene

Systemtic Name: 3-bromanylprop-2-ynyl(tridodecyl)azanium; methylbenzene Openeye Name: 3-bromoprop-2-ynyl(tridodecyl)ammonium; toluene CAS Name: 3-bromoprop-2-ynyl(tridodecyl)ammonium; toluene IUPAC Name: 3-bromoprop-2-ynyl(tridodecyl)azanium; toluene Traditional Name: 3-bromoprop-2-ynyl(trilauryl)ammonium; toluene Formula: C46H85BrN+ MolecularWeight: 732.0778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H77BrN.C7H8/c1-4-7-10-13-16-19-22-25-28-31-36-41(39-34-35-40,37-32-29-26-23-20-17-14-11-8-5-2)38-33-30-27-24-21-18-15-12-9-6-3;1-7-5-3-2-4-6-7/h4-33,36-39H2,1-3H3;2-6H,1H3/q+1;