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

Systemtic Name: 4-phenyl-N-[[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-phenyl-N-[[(3R)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-phenyl-N-[[(3R)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-phenyl-N-[[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-phenyl-N-[[(3R)-1-(3-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=CN=CC=C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CC=C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O/c29-25(24-12-10-23(11-13-24)22-8-2-1-3-9-22)27-17-21-7-5-15-28(19-21)18-20-6-4-14-26-16-20/h1-4,6,8-14,16,21H,5,7,15,17-19H2,(H,27,29)/p+1/t21-/m1/s1