decyl 3-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]propanoate; 4-methylbenzenesulfonate

Systemtic Name: decyl 3-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]propanoate; 4-methylbenzenesulfonate Openeye Name: decyl 3-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]propanoate; 4-methylbenzenesulfonate CAS Name: 3-[1-(3-iodoprop-2-ynyl)-1-pyrrolidin-1-iumyl]propanoic acid decyl ester; 4-methylbenzenesulfonate IUPAC Name: decyl 3-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]propanoate; 4-methylbenzenesulfonate Traditional Name: 3-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]propionic acid decyl ester tosylate Formula: C27H42INO5S MolecularWeight: 619.59555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC[N+]1(CCCC1)CC#CI.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC(=O)CC[N+]1(CCCC1)CC#CI.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H35INO2.C7H8O3S/c1-2-3-4-5-6-7-8-11-19-24-20(23)13-18-22(17-12-14-21)15-9-10-16-22;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13,15-19H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1