(3-fluoranyl-4-phenyl-phenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-fluoranyl-4-phenyl-phenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-fluoro-4-phenyl-phenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-fluoro-4-phenylphenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-fluoro-4-phenylphenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-fluoro-4-phenyl-phenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C22H23FN3O+ MolecularWeight: 364.435923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC=CN2)C(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC=CN2)C(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H22FN3O/c23-20-13-17(8-9-19(20)16-5-2-1-3-6-16)22(27)18-7-4-12-26(14-18)15-21-24-10-11-25-21/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2,(H,24,25)/p+1/t18-/m0/s1