ethyl 2-[2-(4-chlorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(4-chlorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-chlorophenyl)-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorophenyl)-1-piperidin-1-ium-1-ylideneethyl]sulfanylacetate Traditional Name: 2-[[2-(4-chlorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]thio]acetic acid ethyl ester Formula: C17H23ClNO2S+ MolecularWeight: 340.88802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClNO2S/c1-2-21-17(20)13-22-16(19-10-4-3-5-11-19)12-14-6-8-15(18)9-7-14/h6-9H,2-5,10-13H2,1H3/q+1