N-[2-(phenylmethylsulfanyl)phenyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-benzylsulfanylphenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-(phenylmethylthio)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-benzylsulfanylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[2-(benzylthio)phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2OS/c23-20(15-22-13-7-2-8-14-22)21-18-11-5-6-12-19(18)24-16-17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H,21,23)/p+1