1-(3-bromanylprop-2-ynyl)-1-tetradecyl-piperidin-1-ium; methanesulfonate

Systemtic Name: 1-(3-bromanylprop-2-ynyl)-1-tetradecyl-piperidin-1-ium; methanesulfonate Openeye Name: 1-(3-bromoprop-2-ynyl)-1-tetradecyl-piperidin-1-ium; methanesulfonate CAS Name: 1-(3-bromoprop-2-ynyl)-1-tetradecylpiperidin-1-ium; methanesulfonate IUPAC Name: 1-(3-bromoprop-2-ynyl)-1-tetradecylpiperidin-1-ium; methanesulfonate Traditional Name: 1-(3-bromoprop-2-ynyl)-1-myristyl-piperidin-1-ium mesylate Formula: C23H44BrNO3S MolecularWeight: 494.56936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1(CCCCC1)CC#CBr.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1(CCCCC1)CC#CBr.CS(=O)(=O)[O-]

InChI

InChI=1S/C22H41BrN.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-24(22-17-18-23)20-15-13-16-21-24;1-5(2,3)4/h2-16,19-22H2,1H3;1H3,(H,2,3,4)/q+1;/p-1