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

Systemtic Name: 1-dodecyl-1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium; methanesulfonate Openeye Name: 1-dodecyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium; methanesulfonate CAS Name: 1-dodecyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium; methanesulfonate IUPAC Name: 1-dodecyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium; methanesulfonate Traditional Name: 1-(3-iodoprop-2-ynyl)-1-lauryl-pyrrolidin-1-ium mesylate Formula: C20H38INO3S MolecularWeight: 499.49009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H35IN.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-16-21(19-14-15-20)17-12-13-18-21;1-5(2,3)4/h2-13,16-19H2,1H3;1H3,(H,2,3,4)/q+1;/p-1