dodecyl 2-[1-(3-iodanylprop-2-ynyl)-2,3-dihydropyrrol-1-ium-1-yl]ethanoate

Systemtic Name: dodecyl 2-[1-(3-iodanylprop-2-ynyl)-2,3-dihydropyrrol-1-ium-1-yl]ethanoate Openeye Name: dodecyl 2-[1-(3-iodoprop-2-ynyl)-2,3-dihydropyrrol-1-ium-1-yl]acetate CAS Name: 2-[1-(3-iodoprop-2-ynyl)-2,3-dihydropyrrol-1-ium-1-yl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(3-iodoprop-2-ynyl)-2,3-dihydropyrrol-1-ium-1-yl]acetate Traditional Name: 2-[1-(3-iodoprop-2-ynyl)-2-pyrrolin-1-ium-1-yl]acetic acid lauryl ester Formula: C21H35INO2+ MolecularWeight: 460.41257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C[N+]1(CCC=C1)CC#CI

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C[N+]1(CCC=C1)CC#CI

InChI

InChI=1S/C21H35INO2/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/h11,16H,2-10,12-13,17-20H2,1H3/q+1