9-[1-(3-iodanylprop-2-ynyl)piperidin-1-ium-1-yl]nonan-1-ol; 4-methylbenzenesulfonate

Systemtic Name: 9-[1-(3-iodanylprop-2-ynyl)piperidin-1-ium-1-yl]nonan-1-ol; 4-methylbenzenesulfonate Openeye Name: 9-[1-(3-iodoprop-2-ynyl)piperidin-1-ium-1-yl]nonan-1-ol; 4-methylbenzenesulfonate CAS Name: 9-[1-(3-iodoprop-2-ynyl)-1-piperidin-1-iumyl]-1-nonanol; 4-methylbenzenesulfonate IUPAC Name: 9-[1-(3-iodoprop-2-ynyl)piperidin-1-ium-1-yl]nonan-1-ol; 4-methylbenzenesulfonate Traditional Name: 9-[1-(3-iodoprop-2-ynyl)piperidin-1-ium-1-yl]nonan-1-ol tosylate Formula: C24H38INO4S MolecularWeight: 563.53229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC[N+](CC1)(CCCCCCCCCO)CC#CI

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC[N+](CC1)(CCCCCCCCCO)CC#CI

InChI

InChI=1S/C17H31INO.C7H8O3S/c18-12-11-16-19(14-8-6-9-15-19)13-7-4-2-1-3-5-10-17-20;1-6-2-4-7(5-3-6)11(8,9)10/h20H,1-10,13-17H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1