(3-fluoranyl-4-phenyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-fluoranyl-4-phenyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-fluoro-4-phenyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-fluoro-4-phenylphenyl)-[(3S)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-fluoro-4-phenyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Formula: C24H27FN3O+ MolecularWeight: 392.489083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)C(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)C(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C24H26FN3O/c25-23-17-20(10-11-22(23)19-7-2-1-3-8-19)24(29)21-9-4-13-27(18-21)14-6-16-28-15-5-12-26-28/h1-3,5,7-8,10-12,15,17,21H,4,6,9,13-14,16,18H2/p+1/t21-/m0/s1