hexyl 2-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]hexanoate; methanesulfonate

Systemtic Name: hexyl 2-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]hexanoate; methanesulfonate Openeye Name: hexyl 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]hexanoate; methanesulfonate CAS Name: 2-[1-(3-iodoprop-2-ynyl)-1-pyrrolidin-1-iumyl]hexanoic acid hexyl ester; methanesulfonate IUPAC Name: hexyl 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]hexanoate; methanesulfonate Traditional Name: 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]hexanoic acid hexyl ester mesylate Formula: C20H36INO5S MolecularWeight: 529.47301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33INO2.CH4O3S/c1-3-5-7-10-17-23-19(22)18(12-6-4-2)21(16-11-13-20)14-8-9-15-21;1-5(2,3)4/h18H,3-10,12,14-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1