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

Systemtic Name: 4-(3-iodanylprop-2-ynyl)-2-pentyl-morpholin-4-ium; 4-methylbenzenesulfonate Openeye Name: 4-(3-iodoprop-2-ynyl)-2-pentyl-morpholin-4-ium; 4-methylbenzenesulfonate CAS Name: 4-(3-iodoprop-2-ynyl)-2-pentylmorpholin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 4-(3-iodoprop-2-ynyl)-2-pentylmorpholin-4-ium; 4-methylbenzenesulfonate Traditional Name: 2-amyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium tosylate Formula: C19H28INO4S MolecularWeight: 493.39939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C[NH+](CCO1)CC#CI.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC1C[NH+](CCO1)CC#CI.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H20INO.C7H8O3S/c1-2-3-4-6-12-11-14(8-5-7-13)9-10-15-12;1-6-2-4-7(5-3-6)11(8,9)10/h12H,2-4,6,8-11H2,1H3;2-5H,1H3,(H,8,9,10)