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

Systemtic Name: N-[2-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-[[5-(hydroxymethyl)-2-furyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-[[5-(hydroxymethyl)-2-furanyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-[(5-methylol-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=CC=C(O4)CO

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=CC=C(O4)CO

InChI

InChI=1S/C23H28N4O3/c28-17-21-8-7-20(30-21)16-26-14-11-19(12-15-26)27-22(10-13-24-27)25-23(29)9-6-18-4-2-1-3-5-18/h1-5,7-8,10,13,19,28H,6,9,11-12,14-17H2,(H,25,29)/p+1