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

Systemtic Name: 2-[2-(4-chlorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(4-chlorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(4-chlorophenyl)-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid IUPAC Name: 2-[2-(4-chlorophenyl)-1-piperidin-1-ium-1-ylideneethyl]sulfanylacetic acid Traditional Name: 2-[[2-(4-chlorophenyl)-1-piperidin-1-ium-1-ylidene-ethyl]thio]acetic acid Formula: C15H19ClNO2S+ MolecularWeight: 312.83486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(CC2=CC=C(C=C2)Cl)SCC(=O)O)CC1

Isomeric SMILES

C1CC[N+](=C(CC2=CC=C(C=C2)Cl)SCC(=O)O)CC1

InChI

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