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

Systemtic Name: 3-fluoranyl-N-[2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 3-fluoro-N-[2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 3-fluoro-N-[2-[1-[[3-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 3-fluoro-N-[2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 3-fluoro-N-[2-[1-(3-pyrazol-1-ylbenzyl)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(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CC4=CC(=CC=C4)N5C=CC=N5

InChI

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