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

Systemtic Name: 2-ethyl-4-(3-iodanylprop-2-ynyl)morpholin-4-ium; 4-methylbenzenesulfonate Openeye Name: 2-ethyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium; 4-methylbenzenesulfonate CAS Name: 2-ethyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 2-ethyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium; 4-methylbenzenesulfonate Traditional Name: 2-ethyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium tosylate Formula: C16H22INO4S MolecularWeight: 451.31965

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CCO1)CC#CI.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1C[NH+](CCO1)CC#CI.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H14INO.C7H8O3S/c1-2-9-8-11(5-3-4-10)6-7-12-9;1-6-2-4-7(5-3-6)11(8,9)10/h9H,2,5-8H2,1H3;2-5H,1H3,(H,8,9,10)