3-fluoranyl-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 3-fluoranyl-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 3-fluoro-N-[2-(1-o-anisylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Formula: C23H26FN4O2+ MolecularWeight: 409.476543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H25FN4O2/c1-30-21-8-3-2-5-18(21)16-27-13-10-20(11-14-27)28-22(9-12-25-28)26-23(29)17-6-4-7-19(24)15-17/h2-9,12,15,20H,10-11,13-14,16H2,1H3,(H,26,29)/p+1