1-(3-bromanylprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium; methylbenzene

Systemtic Name: 1-(3-bromanylprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium; methylbenzene Openeye Name: 1-(3-bromoprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium; toluene CAS Name: 1-(3-bromoprop-2-ynyl)-1-tetradecylpyrrolidin-1-ium; toluene IUPAC Name: 1-(3-bromoprop-2-ynyl)-1-tetradecylpyrrolidin-1-ium; toluene Traditional Name: 1-(3-bromoprop-2-ynyl)-1-myristyl-pyrrolidin-1-ium; toluene Formula: C28H47BrN+ MolecularWeight: 477.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1(CCCC1)CC#CBr.CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1(CCCC1)CC#CBr.CC1=CC=CC=C1

InChI

InChI=1S/C21H39BrN.C7H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23(21-16-17-22)19-14-15-20-23;1-7-5-3-2-4-6-7/h2-15,18-21H2,1H3;2-6H,1H3/q+1;