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

Systemtic Name: 3-fluoranyl-N-[2-[1-(quinolin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 3-fluoro-N-[2-[1-(2-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 3-fluoro-N-[2-[1-(2-quinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 3-fluoro-N-[2-[1-(2-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H25FN5O+ MolecularWeight: 430.497303

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H24FN5O/c26-20-6-3-5-19(16-20)25(32)29-24-10-13-27-31(24)22-11-14-30(15-12-22)17-21-9-8-18-4-1-2-7-23(18)28-21/h1-10,13,16,22H,11-12,14-15,17H2,(H,29,32)/p+1