1-(phenylmethyl)-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-[2-(3-pyridylmethylcarbamoyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-[2-(3-pyridylmethylcarbamoyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2/c31-25(22-12-15-30(16-13-22)19-20-7-2-1-3-8-20)29-24-11-5-4-10-23(24)26(32)28-18-21-9-6-14-27-17-21/h1-11,14,17,22H,12-13,15-16,18-19H2,(H,28,32)(H,29,31)/p+1