4-(3-iodanylprop-2-ynyl)-2,6-dimethyl-4-tetradecyl-morpholin-4-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-(3-iodanylprop-2-ynyl)-2,6-dimethyl-4-tetradecyl-morpholin-4-ium; 4-methylbenzenesulfonate Openeye Name: 4-(3-iodoprop-2-ynyl)-2,6-dimethyl-4-tetradecyl-morpholin-4-ium; 4-methylbenzenesulfonate CAS Name: 4-(3-iodoprop-2-ynyl)-2,6-dimethyl-4-tetradecylmorpholin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 4-(3-iodoprop-2-ynyl)-2,6-dimethyl-4-tetradecylmorpholin-4-ium; 4-methylbenzenesulfonate Traditional Name: 4-(3-iodoprop-2-ynyl)-2,6-dimethyl-4-myristyl-morpholin-4-ium tosylate Formula: C30H50INO4S MolecularWeight: 647.69177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H43INO.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-25(19-16-17-24)20-22(2)26-23(3)21-25;1-6-2-4-7(5-3-6)11(8,9)10/h22-23H,4-15,18-21H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1