4-hexadecyl-4-(3-iodanylprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-hexadecyl-4-(3-iodanylprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium; 4-methylbenzenesulfonate Openeye Name: 4-hexadecyl-4-(3-iodoprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium; 4-methylbenzenesulfonate CAS Name: 4-hexadecyl-4-(3-iodoprop-2-ynyl)-2,6-dimethylmorpholin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 4-hexadecyl-4-(3-iodoprop-2-ynyl)-2,6-dimethylmorpholin-4-ium; 4-methylbenzenesulfonate Traditional Name: 4-cetyl-4-(3-iodoprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium tosylate Formula: C32H54INO4S MolecularWeight: 675.74493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47INO.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(21-18-19-26)22-24(2)28-25(3)23-27;1-6-2-4-7(5-3-6)11(8,9)10/h24-25H,4-17,20-23H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1