benzenesulfonate; 1-(3-iodanylprop-2-ynyl)-1-tetradecyl-3,6-dihydro-2H-pyridin-1-ium

Systemtic Name: benzenesulfonate; 1-(3-iodanylprop-2-ynyl)-1-tetradecyl-3,6-dihydro-2H-pyridin-1-ium Openeye Name: benzenesulfonate; 1-(3-iodoprop-2-ynyl)-1-tetradecyl-3,6-dihydro-2H-pyridin-1-ium CAS Name: benzenesulfonate; 1-(3-iodoprop-2-ynyl)-1-tetradecyl-3,6-dihydro-2H-pyridin-1-ium IUPAC Name: benzenesulfonate; 1-(3-iodoprop-2-ynyl)-1-tetradecyl-3,6-dihydro-2H-pyridin-1-ium Traditional Name: 1-(3-iodoprop-2-ynyl)-1-myristyl-3,6-dihydro-2H-pyridin-1-ium besylate Formula: C28H44INO3S MolecularWeight: 601.62333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39IN.C6H6O3S/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-24(22-17-18-23)20-15-13-16-21-24;7-10(8,9)6-4-2-1-3-5-6/h13,15H,2-12,14,16,19-22H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1