N-[3-(3-chlorophenyl)phenyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(3-chlorophenyl)phenyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-chlorophenyl)phenyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-chlorophenyl)phenyl]-1-[3-(methylthio)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-chlorophenyl)phenyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-chlorophenyl)phenyl]-1-[3-(methylthio)propyl]piperidin-1-ium-4-carboxamide Formula: C22H28ClN2OS+ MolecularWeight: 403.98852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CSCCC[NH+]1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2OS/c1-27-14-4-11-25-12-9-17(10-13-25)22(26)24-21-8-3-6-19(16-21)18-5-2-7-20(23)15-18/h2-3,5-8,15-17H,4,9-14H2,1H3,(H,24,26)/p+1