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

Systemtic Name: benzenesulfonate; 1-hexadecyl-1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium Openeye Name: benzenesulfonate; 1-hexadecyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium CAS Name: benzenesulfonate; 1-hexadecyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium IUPAC Name: benzenesulfonate; 1-hexadecyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium Traditional Name: 1-cetyl-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium besylate Formula: C29H48INO3S MolecularWeight: 617.66579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H43IN.C6H6O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(23-18-19-24)21-16-17-22-25;7-10(8,9)6-4-2-1-3-5-6/h2-17,20-23H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1