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

Systemtic Name: 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(hydroxymethyl)-2-furyl]methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(hydroxymethyl)-2-furanyl]methyl]-N-[3-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-methoxyphenyl)phenyl]-1-[(5-methylol-2-furyl)methyl]piperidin-1-ium-4-carboxamide Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CC4=CC=C(O4)CO

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CC4=CC=C(O4)CO

InChI

InChI=1S/C25H28N2O4/c1-30-22-7-3-5-20(15-22)19-4-2-6-21(14-19)26-25(29)18-10-12-27(13-11-18)16-23-8-9-24(17-28)31-23/h2-9,14-15,18,28H,10-13,16-17H2,1H3,(H,26,29)/p+1