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

Systemtic Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanyl-piperidin-1-yl]-2-pyridin-3-yl-ethanone Openeye Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxy-1-piperidyl]-2-(3-pyridyl)ethanone CAS Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-hydroxy-1-piperidinyl]-2-(3-pyridinyl)ethanone IUPAC Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxypiperidin-1-yl]-2-pyridin-3-ylethanone Traditional Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxy-piperidino]-2-(3-pyridyl)ethanone Formula: C22H28FN4O2+ MolecularWeight: 399.481723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1[NH+]2CCN(CC2)C3=CC=CC=C3F)O)C(=O)CC4=CN=CC=C4

Isomeric SMILES

C1CN(C[C@H]([C@@H]1[NH+]2CCN(CC2)C3=CC=CC=C3F)O)C(=O)CC4=CN=CC=C4

InChI

InChI=1S/C22H27FN4O2/c23-18-5-1-2-6-19(18)25-10-12-26(13-11-25)20-7-9-27(16-21(20)28)22(29)14-17-4-3-8-24-15-17/h1-6,8,15,20-21,28H,7,9-14,16H2/p+1/t20-,21-/m1/s1