ethyl 2-[1-piperidin-1-ium-1-ylidene-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-piperidin-1-ium-1-ylidene-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylethanoate Openeye Name: ethyl 2-[1-piperidin-1-ium-1-ylidene-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylacetate CAS Name: 2-[[1-(1-piperidin-1-iumylidene)-2-[3-(trifluoromethyl)phenyl]ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-piperidin-1-ium-1-ylidene-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylacetate Traditional Name: 2-[[1-piperidin-1-ium-1-ylidene-2-[3-(trifluoromethyl)phenyl]ethyl]thio]acetic acid ethyl ester Formula: C18H23F3NO2S+ MolecularWeight: 374.44093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=[N+]1CCCCC1)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)CSC(=[N+]1CCCCC1)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H23F3NO2S/c1-2-24-17(23)13-25-16(22-9-4-3-5-10-22)12-14-7-6-8-15(11-14)18(19,20)21/h6-8,11H,2-5,9-10,12-13H2,1H3/q+1