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

Systemtic Name: 4-(3-iodanylprop-2-ynyl)-4-tetradecyl-morpholin-4-ium; 4-methylbenzenesulfonate Openeye Name: 4-(3-iodoprop-2-ynyl)-4-tetradecyl-morpholin-4-ium; 4-methylbenzenesulfonate CAS Name: 4-(3-iodoprop-2-ynyl)-4-tetradecylmorpholin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 4-(3-iodoprop-2-ynyl)-4-tetradecylmorpholin-4-ium; 4-methylbenzenesulfonate Traditional Name: 4-(3-iodoprop-2-ynyl)-4-myristyl-morpholin-4-ium tosylate Formula: C28H46INO4S MolecularWeight: 619.63861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39INO.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23(17-14-15-22)18-20-24-21-19-23;1-6-2-4-7(5-3-6)11(8,9)10/h2-13,16-21H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1