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

Systemtic Name: N-[3-(furan-2-yl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(2-furyl)phenyl]-1-[[5-(hydroxymethyl)-2-furyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(2-furanyl)phenyl]-1-[[5-(hydroxymethyl)-2-furanyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(furan-2-yl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(2-furyl)phenyl]-1-[(5-methylol-2-furyl)methyl]piperidin-1-ium-4-carboxamide Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=CC=C(O4)CO

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=CC=C(O4)CO

InChI

InChI=1S/C22H24N2O4/c25-15-20-7-6-19(28-20)14-24-10-8-16(9-11-24)22(26)23-18-4-1-3-17(13-18)21-5-2-12-27-21/h1-7,12-13,16,25H,8-11,14-15H2,(H,23,26)/p+1