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

Systemtic Name: N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]furan-3-carboxamide Openeye Name: N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]furan-3-carboxamide CAS Name: N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-3-furancarboxamide IUPAC Name: N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]furan-3-carboxamide Traditional Name: N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-3-furamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=COC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=COC=C3

InChI

InChI=1S/C16H19N3O2/c20-16(13-6-9-21-12-13)18-15-5-3-8-19(11-15)10-14-4-1-2-7-17-14/h1-2,4,6-7,9,12,15H,3,5,8,10-11H2,(H,18,20)/p+1/t15-/m0/s1