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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CC=C(O4)CO

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CC=C(O4)CO

InChI

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