N-[[(3R)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3R)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide Openeye Name: N-[[(3R)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide CAS Name: N-[[(3R)-1-[(2-chlorophenyl)methyl]-3-piperidin-1-iumyl]methyl]-3-phenylpropanamide IUPAC Name: N-[[(3R)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenylpropanamide Traditional Name: N-[[(3R)-1-(2-chlorobenzyl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propionamide Formula: C22H28ClN2O+ MolecularWeight: 371.92352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2Cl)CNC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2Cl)CNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O/c23-21-11-5-4-10-20(21)17-25-14-6-9-19(16-25)15-24-22(26)13-12-18-7-2-1-3-8-18/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,24,26)/p+1/t19-/m1/s1