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

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]nipecotamide Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=N3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=N3)C(=O)NC4CC4

InChI

InChI=1S/C20H30N4O/c25-20(22-17-6-7-17)16-4-3-11-24(14-16)19-8-12-23(13-9-19)15-18-5-1-2-10-21-18/h1-2,5,10,16-17,19H,3-4,6-9,11-15H2,(H,22,25)/p+1/t16-/m0/s1