decyl 2-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]propanoate; methanesulfonate

Systemtic Name: decyl 2-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]propanoate; methanesulfonate Openeye Name: decyl 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]propanoate; methanesulfonate CAS Name: 2-[1-(3-iodoprop-2-ynyl)-1-pyrrolidin-1-iumyl]propanoic acid decyl ester; methanesulfonate IUPAC Name: decyl 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]propanoate; methanesulfonate Traditional Name: 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]propionic acid decyl ester mesylate Formula: C21H38INO5S MolecularWeight: 543.49959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35INO2.CH4O3S/c1-3-4-5-6-7-8-9-12-18-24-20(23)19(2)22(17-13-14-21)15-10-11-16-22;1-5(2,3)4/h19H,3-12,15-18H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1