7-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]heptan-1-ol; 4-methylbenzenesulfonate

Systemtic Name: 7-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]heptan-1-ol; 4-methylbenzenesulfonate Openeye Name: 7-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]heptan-1-ol; 4-methylbenzenesulfonate CAS Name: 7-[1-(3-iodoprop-2-ynyl)-1-pyrrolidin-1-iumyl]-1-heptanol; 4-methylbenzenesulfonate IUPAC Name: 7-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]heptan-1-ol; 4-methylbenzenesulfonate Traditional Name: 7-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]heptan-1-ol tosylate Formula: C21H32INO4S MolecularWeight: 521.45255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25INO.C7H8O3S/c15-9-8-13-16(11-5-6-12-16)10-4-2-1-3-7-14-17;1-6-2-4-7(5-3-6)11(8,9)10/h17H,1-7,10-14H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1