2-[[(3R,4R)-4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methyl-3-piperidyl]methylsulfanyl]acetic acid CAS Name: 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methyl-3-piperidinyl]methylthio]acetic acid IUPAC Name: 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[(3R,4R)-4-(4-chlorophenyl)-1-methyl-3-piperidyl]methylthio]acetic acid Formula: C15H20ClNO2S MolecularWeight: 313.8428

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)CSCC(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1CC[C@H]([C@H](C1)CSCC(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClNO2S/c1-17-7-6-14(11-2-4-13(16)5-3-11)12(8-17)9-20-10-15(18)19/h2-5,12,14H,6-10H2,1H3,(H,18,19)/t12-,14+/m1/s1