(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)nipecotamide Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C24H32N4O/c29-24(26-17-22-10-4-5-13-25-22)21-9-6-14-28(19-21)23-11-15-27(16-12-23)18-20-7-2-1-3-8-20/h1-5,7-8,10,13,21,23H,6,9,11-12,14-19H2,(H,26,29)/p+1/t21-/m0/s1