2-[(2S)-4-[(8-fluoranylquinolin-2-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(8-fluoranylquinolin-2-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(8-fluoro-2-quinolyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-fluoro-2-quinolinyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(8-fluoro-2-quinolyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C23H27FN3O+ MolecularWeight: 380.478383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=NC3=C(C=CC=C3F)C=C2)CCO)CC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=NC3=C(C=CC=C3F)C=C2)CCO)CC4=CC=CC=C4

InChI

InChI=1S/C23H26FN3O/c24-22-8-4-7-19-9-10-20(25-23(19)22)16-26-12-13-27(21(17-26)11-14-28)15-18-5-2-1-3-6-18/h1-10,21,28H,11-17H2/p+1/t21-/m0/s1