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ethyl 2-[(1Z)-1-ethylidene-2-[3-(trifluoromethyl)phenyl]piperidin-1-ium-2-yl]sulfanylethanoate

ethyl 2-[(1Z)-1-ethylidene-2-[3-(trifluoromethyl)phenyl]piperidin-1-ium-2-yl]sulfanylethanoate

Systemtic Name:ethyl 2-[(1Z)-1-ethylidene-2-[3-(trifluoromethyl)phenyl]piperidin-1-ium-2-yl]sulfanylethanoate
Openeye Name:ethyl 2-[(1Z)-1-ethylidene-2-[3-(trifluoromethyl)phenyl]piperidin-1-ium-2-yl]sulfanylacetate
CAS Name:2-[[(1Z)-1-ethylidene-2-[3-(trifluoromethyl)phenyl]-2-piperidin-1-iumyl]thio]acetic acid ethyl ester
IUPAC Name:ethyl 2-[(1Z)-1-ethylidene-2-[3-(trifluoromethyl)phenyl]piperidin-1-ium-2-yl]sulfanylacetate
Traditional Name:2-[[(1Z)-1-ethylidene-2-[3-(trifluoromethyl)phenyl]piperidin-1-ium-2-yl]thio]acetic acid ethyl ester
Formula: C18H23F3NO2S+
MolecularWeight: 374.44093
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1(CCCC[N+]1=CC)C2=CC(=CC=C2)C(F)(F)F


Isomeric SMILES

CCOC(=O)CSC\1(CCCC/[N+]1=C/C)C2=CC(=CC=C2)C(F)(F)F


InChI

InChI=1S/C18H23F3NO2S/c1-3-22-11-6-5-10-17(22,25-13-16(23)24-4-2)14-8-7-9-15(12-14)18(19,20)21/h3,7-9,12H,4-6,10-11,13H2,1-2H3/q+1/b22-3-


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