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

Systemtic Name: 1-(3-iodanylprop-2-ynyl)-1-pentyl-pyrrolidin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(3-iodoprop-2-ynyl)-1-pentyl-pyrrolidin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-(3-iodoprop-2-ynyl)-1-pentylpyrrolidin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(3-iodoprop-2-ynyl)-1-pentylpyrrolidin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-amyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium tosylate Formula: C19H28INO3S MolecularWeight: 477.39999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21IN.C7H8O3S/c1-2-3-4-9-14(12-7-8-13)10-5-6-11-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,9-12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1