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

Systemtic Name: 1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium tosylate Formula: C14H18INO3S MolecularWeight: 407.26709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10IN.C7H8O3S/c8-4-3-7-9-5-1-2-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-7H2;2-5H,1H3,(H,8,9,10)