N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-2-(2-pyridylthio)acetamide Formula: C19H23ClN3OS+ MolecularWeight: 376.92342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C19H22ClN3OS/c20-16-8-6-15(7-9-16)12-23-11-3-4-17(13-23)22-18(24)14-25-19-5-1-2-10-21-19/h1-2,5-10,17H,3-4,11-14H2,(H,22,24)/p+1/t17-/m0/s1