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

Systemtic Name: 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide Openeye Name: 3-[1-[[5-(hydroxymethyl)-2-furyl]methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide CAS Name: 3-[1-[[5-(hydroxymethyl)-2-furanyl]methyl]-4-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]-N-phenylpropanamide Traditional Name: 3-[1-[(5-methylol-2-furyl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propionamide Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2)CC3=CC=C(O3)CO

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2)CC3=CC=C(O3)CO

InChI

InChI=1S/C20H26N2O3/c23-15-19-8-7-18(25-19)14-22-12-10-16(11-13-22)6-9-20(24)21-17-4-2-1-3-5-17/h1-5,7-8,16,23H,6,9-15H2,(H,21,24)/p+1