4-phenyl-N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 4-phenyl-N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-phenyl-N-[[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-phenyl-N-[[(3R)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-phenyl-N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-phenyl-N-[[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O/c29-25(23-13-11-22(12-14-23)21-8-2-1-3-9-21)27-17-20-7-6-16-28(18-20)19-24-10-4-5-15-26-24/h1-5,8-15,20H,6-7,16-19H2,(H,27,29)/p+1/t20-/m1/s1