3-phenoxy-N-[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide

Systemtic Name: 3-phenoxy-N-[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: 3-phenoxy-N-[2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide CAS Name: 3-phenoxy-N-[2-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 3-phenoxy-N-[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: 3-phenoxy-N-[2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propionamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C23H27N5O2/c29-23(12-17-30-21-7-2-1-3-8-21)26-22-9-14-25-28(22)20-10-15-27(16-11-20)18-19-6-4-5-13-24-19/h1-9,13-14,20H,10-12,15-18H2,(H,26,29)/p+1