decyl 3-[4-(3-iodanylprop-2-ynyl)morpholin-4-ium-4-yl]propanoate; 4-methylbenzenesulfonate

Systemtic Name: decyl 3-[4-(3-iodanylprop-2-ynyl)morpholin-4-ium-4-yl]propanoate; 4-methylbenzenesulfonate Openeye Name: decyl 3-[4-(3-iodoprop-2-ynyl)morpholin-4-ium-4-yl]propanoate; 4-methylbenzenesulfonate CAS Name: 3-[4-(3-iodoprop-2-ynyl)-4-morpholin-4-iumyl]propanoic acid decyl ester; 4-methylbenzenesulfonate IUPAC Name: decyl 3-[4-(3-iodoprop-2-ynyl)morpholin-4-ium-4-yl]propanoate; 4-methylbenzenesulfonate Traditional Name: 3-[4-(3-iodoprop-2-ynyl)morpholin-4-ium-4-yl]propionic acid decyl ester tosylate Formula: C27H42INO6S MolecularWeight: 635.59495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC[N+]1(CCOCC1)CC#CI.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC(=O)CC[N+]1(CCOCC1)CC#CI.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H35INO3.C7H8O3S/c1-2-3-4-5-6-7-8-9-17-25-20(23)11-14-22(13-10-12-21)15-18-24-19-16-22;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,11,13-19H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1