1-(3-iodanylprop-2-ynyl)-2-methyl-1-tetradecyl-piperidin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-(3-iodanylprop-2-ynyl)-2-methyl-1-tetradecyl-piperidin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(3-iodoprop-2-ynyl)-2-methyl-1-tetradecyl-piperidin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-(3-iodoprop-2-ynyl)-2-methyl-1-tetradecylpiperidin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(3-iodoprop-2-ynyl)-2-methyl-1-tetradecylpiperidin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-(3-iodoprop-2-ynyl)-2-methyl-1-myristyl-piperidin-1-ium tosylate Formula: C30H50INO3S MolecularWeight: 631.69237

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1(CCCCC1C)CC#CI.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1(CCCCC1C)CC#CI.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H43IN.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15-20-25(22-17-19-24)21-16-14-18-23(25)2;1-6-2-4-7(5-3-6)11(8,9)10/h23H,3-16,18,20-22H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1