hexyl 5-[4-(3-iodanylprop-2-ynyl)morpholin-4-ium-2-yl]-2-methyl-pentanoate; methanesulfonate

Systemtic Name: hexyl 5-[4-(3-iodanylprop-2-ynyl)morpholin-4-ium-2-yl]-2-methyl-pentanoate; methanesulfonate Openeye Name: hexyl 5-[4-(3-iodoprop-2-ynyl)morpholin-4-ium-2-yl]-2-methyl-pentanoate; methanesulfonate CAS Name: 5-[4-(3-iodoprop-2-ynyl)-2-morpholin-4-iumyl]-2-methylpentanoic acid hexyl ester; methanesulfonate IUPAC Name: hexyl 5-[4-(3-iodoprop-2-ynyl)morpholin-4-ium-2-yl]-2-methylpentanoate; methanesulfonate Traditional Name: 5-[4-(3-iodoprop-2-ynyl)morpholin-4-ium-2-yl]-2-methyl-valeric acid hexyl ester mesylate Formula: C20H36INO6S MolecularWeight: 545.47241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C)CCCC1C[NH+](CCO1)CC#CI.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C(C)CCCC1C[NH+](CCO1)CC#CI.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H32INO3.CH4O3S/c1-3-4-5-6-14-24-19(22)17(2)9-7-10-18-16-21(12-8-11-20)13-15-23-18;1-5(2,3)4/h17-18H,3-7,9-10,12-16H2,1-2H3;1H3,(H,2,3,4)