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

Systemtic Name: 1-hexyl-1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-hexyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-hexyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-hexyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-hexyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium tosylate Formula: C20H30INO3S MolecularWeight: 491.42657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23IN.C7H8O3S/c1-2-3-4-5-10-15(13-8-9-14)11-6-7-12-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,10-13H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1