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

Systemtic Name: 1-(3-iodanylprop-2-ynyl)-1-methyl-piperidin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(3-iodoprop-2-ynyl)-1-methyl-piperidin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-(3-iodoprop-2-ynyl)-1-methylpiperidin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(3-iodoprop-2-ynyl)-1-methylpiperidin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-(3-iodoprop-2-ynyl)-1-methyl-piperidin-1-ium tosylate Formula: C16H22INO3S MolecularWeight: 435.32025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCCCC1)CC#CI

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCCCC1)CC#CI

InChI

InChI=1S/C9H15IN.C7H8O3S/c1-11(9-5-6-10)7-3-2-4-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,7-9H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1