4-(3-iodanylprop-2-ynyl)-4-tridecyl-morpholin-4-ium; methanesulfonate

Systemtic Name: 4-(3-iodanylprop-2-ynyl)-4-tridecyl-morpholin-4-ium; methanesulfonate Openeye Name: 4-(3-iodoprop-2-ynyl)-4-tridecyl-morpholin-4-ium; methanesulfonate CAS Name: 4-(3-iodoprop-2-ynyl)-4-tridecylmorpholin-4-ium; methanesulfonate IUPAC Name: 4-(3-iodoprop-2-ynyl)-4-tridecylmorpholin-4-ium; methanesulfonate Traditional Name: 4-(3-iodoprop-2-ynyl)-4-tridecyl-morpholin-4-ium mesylate Formula: C21H40INO4S MolecularWeight: 529.51607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC[N+]1(CCOCC1)CC#CI.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC[N+]1(CCOCC1)CC#CI.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H37INO.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-15-22(16-13-14-21)17-19-23-20-18-22;1-5(2,3)4/h2-12,15-20H2,1H3;1H3,(H,2,3,4)/q+1;/p-1