1-(3-iodanylprop-2-ynyl)-1-(2-methylheptadecan-2-yl)pyrrolidin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-(3-iodanylprop-2-ynyl)-1-(2-methylheptadecan-2-yl)pyrrolidin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(1,1-dimethylhexadecyl)-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-(3-iodoprop-2-ynyl)-1-(2-methylheptadecan-2-yl)pyrrolidin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(3-iodoprop-2-ynyl)-1-(2-methylheptadecan-2-yl)pyrrolidin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-(1,1-dimethylhexadecyl)-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium tosylate Formula: C32H54INO3S MolecularWeight: 659.74553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47IN.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(2,3)27(24-19-21-26)22-17-18-23-27;1-6-2-4-7(5-3-6)11(8,9)10/h4-18,20,22-24H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1