1-hexadecyl-1-(3-iodanylprop-2-ynyl)piperidin-1-ium; methanesulfonate

Systemtic Name: 1-hexadecyl-1-(3-iodanylprop-2-ynyl)piperidin-1-ium; methanesulfonate Openeye Name: 1-hexadecyl-1-(3-iodoprop-2-ynyl)piperidin-1-ium; methanesulfonate CAS Name: 1-hexadecyl-1-(3-iodoprop-2-ynyl)piperidin-1-ium; methanesulfonate IUPAC Name: 1-hexadecyl-1-(3-iodoprop-2-ynyl)piperidin-1-ium; methanesulfonate Traditional Name: 1-cetyl-1-(3-iodoprop-2-ynyl)piperidin-1-ium mesylate Formula: C25H48INO3S MolecularWeight: 569.62299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCCCC1)CC#CI.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCCCC1)CC#CI.CS(=O)(=O)[O-]

InChI

InChI=1S/C24H45IN.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-26(24-19-20-25)22-17-15-18-23-26;1-5(2,3)4/h2-18,21-24H2,1H3;1H3,(H,2,3,4)/q+1;/p-1