2-(3-fluorophenyl)-1-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]ethanone

Systemtic Name: 2-(3-fluorophenyl)-1-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]ethanone Openeye Name: 2-(3-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)-1-piperidyl]ethanone CAS Name: 2-(3-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazin-4-iumyl)-1-piperidinyl]ethanone IUPAC Name: 2-(3-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]ethanone Traditional Name: 2-(3-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidino]ethanone Formula: C18H27FN3O2+ MolecularWeight: 336.424283

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2O)C(=O)CC3=CC(=CC=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CCN(C[C@H]2O)C(=O)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H26FN3O2/c1-20-7-9-21(10-8-20)16-5-6-22(13-17(16)23)18(24)12-14-3-2-4-15(19)11-14/h2-4,11,16-17,23H,5-10,12-13H2,1H3/p+1/t16-,17-/m1/s1