N-[[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[(4-benzyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-(4-benzoxybenzyl)piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H29N3O2/c30-26(24-9-4-14-27-17-24)28-16-23-8-5-15-29(19-23)18-21-10-12-25(13-11-21)31-20-22-6-2-1-3-7-22/h1-4,6-7,9-14,17,23H,5,8,15-16,18-20H2,(H,28,30)/p+1/t23-/m1/s1