(2S)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[5-(hydroxymethyl)-2-furyl]methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[5-(hydroxymethyl)-2-furanyl]methyl]-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(5-methylol-2-furyl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide Formula: C23H26N3O4+ MolecularWeight: 408.47024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CC=C(O4)CO

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CC=C(O4)CO

InChI

InChI=1S/C23H25N3O4/c27-16-21-11-10-20(30-21)15-26-13-2-1-5-22(26)23(28)25-17-6-8-18(9-7-17)29-19-4-3-12-24-14-19/h3-4,6-12,14,22,27H,1-2,5,13,15-16H2,(H,25,28)/p+1/t22-/m0/s1