(2S)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[5-(hydroxymethyl)-2-furyl]methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[5-(hydroxymethyl)-2-furanyl]methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(5-methylol-2-furyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c27-16-20-11-10-19(29-20)15-26-13-5-4-8-21(26)23(28)25-17-9-12-22(24-14-17)30-18-6-2-1-3-7-18/h1-3,6-7,9-12,14,21,27H,4-5,8,13,15-16H2,(H,25,28)/p+1/t21-/m0/s1