dodecyl 2-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]ethanoate; methanesulfonate

Systemtic Name: dodecyl 2-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]ethanoate; methanesulfonate Openeye Name: dodecyl 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]acetate; methanesulfonate CAS Name: 2-[1-(3-iodoprop-2-ynyl)-1-pyrrolidin-1-iumyl]acetic acid dodecyl ester; methanesulfonate IUPAC Name: dodecyl 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]acetate; methanesulfonate Traditional Name: 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]acetic acid lauryl ester mesylate Formula: C22H40INO5S MolecularWeight: 557.52617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37INO2.CH4O3S/c1-2-3-4-5-6-7-8-9-10-13-19-25-21(24)20-23(18-14-15-22)16-11-12-17-23;1-5(2,3)4/h2-13,16-20H2,1H3;1H3,(H,2,3,4)/q+1;/p-1