1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenyl-ethane-1,2-dione

Systemtic Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenyl-ethane-1,2-dione Openeye Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-phenyl-ethane-1,2-dione CAS Name: 1-[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-phenylethane-1,2-dione IUPAC Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenylethane-1,2-dione Traditional Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-2-phenyl-ethane-1,2-dione Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C(=O)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C(=O)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O2/c24-19-8-10-20(11-9-19)25-13-15-26(16-14-25)21-7-4-12-27(17-21)23(29)22(28)18-5-2-1-3-6-18/h1-3,5-6,8-11,21H,4,7,12-17H2/p+1/t21-/m0/s1