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

Systemtic Name: 1-(3-bromanylprop-2-ynyl)-2-methyl-1-tetradecyl-piperidin-1-ium; methanesulfonate Openeye Name: 1-(3-bromoprop-2-ynyl)-2-methyl-1-tetradecyl-piperidin-1-ium; methanesulfonate CAS Name: 1-(3-bromoprop-2-ynyl)-2-methyl-1-tetradecylpiperidin-1-ium; methanesulfonate IUPAC Name: 1-(3-bromoprop-2-ynyl)-2-methyl-1-tetradecylpiperidin-1-ium; methanesulfonate Traditional Name: 1-(3-bromoprop-2-ynyl)-2-methyl-1-myristyl-piperidin-1-ium mesylate Formula: C24H46BrNO3S MolecularWeight: 508.59594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1(CCCCC1C)CC#CBr.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1(CCCCC1C)CC#CBr.CS(=O)(=O)[O-]

InChI

InChI=1S/C23H43BrN.CH4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15-20-25(22-17-19-24)21-16-14-18-23(25)2;1-5(2,3)4/h23H,3-16,18,20-22H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1