1-(3-iodanylprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium; methanesulfonate

Systemtic Name: 1-(3-iodanylprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium; methanesulfonate Openeye Name: 1-(3-iodoprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium; methanesulfonate CAS Name: 1-(3-iodoprop-2-ynyl)-1-tetradecylpyrrolidin-1-ium; methanesulfonate IUPAC Name: 1-(3-iodoprop-2-ynyl)-1-tetradecylpyrrolidin-1-ium; methanesulfonate Traditional Name: 1-(3-iodoprop-2-ynyl)-1-myristyl-pyrrolidin-1-ium mesylate Formula: C22H42INO3S MolecularWeight: 527.54325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1(CCCC1)CC#CI.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1(CCCC1)CC#CI.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H39IN.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23(21-16-17-22)19-14-15-20-23;1-5(2,3)4/h2-15,18-21H2,1H3;1H3,(H,2,3,4)/q+1;/p-1