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

Systemtic Name: 3-fluoranyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 3-fluoro-N-[2-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 3-fluoro-N-[2-[1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 3-fluoro-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 3-fluoro-N-[2-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H26FN6O+ MolecularWeight: 445.511943

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C25H25FN6O/c26-20-6-3-5-19(17-20)25(33)29-24-9-13-28-32(24)21-10-15-30(16-11-21)18-22-7-4-14-31(22)23-8-1-2-12-27-23/h1-9,12-14,17,21H,10-11,15-16,18H2,(H,29,33)/p+1