(3-fluoranyl-4-phenyl-phenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-fluoranyl-4-phenyl-phenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-fluoro-4-phenyl-phenyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-fluoro-4-phenylphenyl)-[(3S)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-fluoro-4-phenylphenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-fluoro-4-phenyl-phenyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C24H24FN2O+ MolecularWeight: 375.458563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NC=C2)C(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NC=C2)C(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C24H23FN2O/c25-23-15-20(8-9-22(23)19-5-2-1-3-6-19)24(28)21-7-4-14-27(17-21)16-18-10-12-26-13-11-18/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2/p+1/t21-/m0/s1