benzenesulfonate; 1-(3-iodanylprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium

Systemtic Name: benzenesulfonate; 1-(3-iodanylprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium Openeye Name: benzenesulfonate; 1-(3-iodoprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium CAS Name: benzenesulfonate; 1-(3-iodoprop-2-ynyl)-1-tetradecylpyrrolidin-1-ium IUPAC Name: benzenesulfonate; 1-(3-iodoprop-2-ynyl)-1-tetradecylpyrrolidin-1-ium Traditional Name: 1-(3-iodoprop-2-ynyl)-1-myristyl-pyrrolidin-1-ium besylate Formula: C27H44INO3S MolecularWeight: 589.61263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1(CCCC1)CC#CI.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1(CCCC1)CC#CI.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H39IN.C6H6O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23(21-16-17-22)19-14-15-20-23;7-10(8,9)6-4-2-1-3-5-6/h2-15,18-21H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1