phenyl 6-fluoranyl-1-(phenylcarbonyl)-1-piperidin-4-yl-indazol-1-ium-3-carboxylate

Systemtic Name: phenyl 6-fluoranyl-1-(phenylcarbonyl)-1-piperidin-4-yl-indazol-1-ium-3-carboxylate Openeye Name: phenyl 1-benzoyl-6-fluoro-1-(4-piperidyl)indazol-1-ium-3-carboxylate CAS Name: 1-benzoyl-6-fluoro-1-(4-piperidinyl)-3-indazol-1-iumcarboxylic acid phenyl ester IUPAC Name: phenyl 1-benzoyl-6-fluoro-1-piperidin-4-ylindazol-1-ium-3-carboxylate Traditional Name: 1-benzoyl-6-fluoro-1-(4-piperidyl)indazol-1-ium-3-carboxylic acid phenyl ester Formula: C26H23FN3O3+ MolecularWeight: 444.477523

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1[N+]2(C3=C(C=CC(=C3)F)C(=N2)C(=O)OC4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CNCCC1[N+]2(C3=C(C=CC(=C3)F)C(=N2)C(=O)OC4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23FN3O3/c27-19-11-12-22-23(17-19)30(20-13-15-28-16-14-20,25(31)18-7-3-1-4-8-18)29-24(22)26(32)33-21-9-5-2-6-10-21/h1-12,17,20,28H,13-16H2/q+1