benzenesulfonate; dodecyl 2-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: benzenesulfonate; dodecyl 2-[1-(3-iodanylprop-2-ynyl)pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: benzenesulfonate; dodecyl 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]acetate CAS Name: benzenesulfonate; 2-[1-(3-iodoprop-2-ynyl)-1-pyrrolidin-1-iumyl]acetic acid dodecyl ester IUPAC Name: benzenesulfonate; dodecyl 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium-1-yl]acetic acid lauryl ester besylate Formula: C27H42INO5S MolecularWeight: 619.59555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37INO2.C6H6O3S/c1-2-3-4-5-6-7-8-9-10-13-19-25-21(24)20-23(18-14-15-22)16-11-12-17-23;7-10(8,9)6-4-2-1-3-5-6/h2-13,16-20H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1