N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: 3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CCC2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)CCC2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H32N4O2/c28-22(24-16-21-7-4-14-29-21)9-8-18-10-12-27(13-11-18)17-20-15-25-26-23(20)19-5-2-1-3-6-19/h1-3,5-6,15,18,21H,4,7-14,16-17H2,(H,24,28)(H,25,26)/p+1/t21-/m1/s1