N-[[2-[(3R)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-pyridin-2-yl-ethanamide

Systemtic Name: N-[[2-[(3R)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-pyridin-2-yl-ethanamide Openeye Name: N-[[2-[(3R)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-2-(2-pyridyl)acetamide CAS Name: N-[[2-[(3R)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-2-(2-pyridinyl)acetamide IUPAC Name: N-[[2-[(3R)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-pyridin-2-ylacetamide Traditional Name: N-[[2-[(3R)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-2-(2-pyridyl)acetamide Formula: C18H23N4O2+ MolecularWeight: 327.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CC=CC=N3)O

Isomeric SMILES

C1C[C@H](CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CC=CC=N3)O

InChI

InChI=1S/C18H22N4O2/c23-16-7-4-10-22(13-16)18-14(5-3-9-20-18)12-21-17(24)11-15-6-1-2-8-19-15/h1-3,5-6,8-9,16,23H,4,7,10-13H2,(H,21,24)/p+1/t16-/m1/s1