2-[(1E)-1-[2-(4-chlorophenyl)ethylidene]piperidin-1-ium-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[(1E)-1-[2-(4-chlorophenyl)ethylidene]piperidin-1-ium-2-yl]sulfanylethanoic acid Openeye Name: 2-[(1E)-1-[2-(4-chlorophenyl)ethylidene]piperidin-1-ium-2-yl]sulfanylacetic acid CAS Name: 2-[[(1E)-1-[2-(4-chlorophenyl)ethylidene]-2-piperidin-1-iumyl]thio]acetic acid IUPAC Name: 2-[(1E)-1-[2-(4-chlorophenyl)ethylidene]piperidin-1-ium-2-yl]sulfanylacetic acid Traditional Name: 2-[[(1E)-1-[2-(4-chlorophenyl)ethylidene]piperidin-1-ium-2-yl]thio]acetic acid Formula: C15H19ClNO2S+ MolecularWeight: 312.83486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=CCC2=CC=C(C=C2)Cl)C(C1)SCC(=O)O

Isomeric SMILES

C1CC/[N+](=C\CC2=CC=C(C=C2)Cl)/C(C1)SCC(=O)O

InChI

InChI=1S/C15H18ClNO2S/c16-13-6-4-12(5-7-13)8-10-17-9-2-1-3-14(17)20-11-15(18)19/h4-7,10,14H,1-3,8-9,11H2/p+1/b17-10+