2-[(2S)-4-[(6-fluoranylquinolin-2-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(6-fluoranylquinolin-2-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(6-fluoro-2-quinolyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-fluoro-2-quinolinyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(6-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=C2)C=C(C=C3)F)CCO)CC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=NC3=C(C=C2)C=C(C=C3)F)CCO)CC4=CC=CC=C4

InChI

InChI=1S/C23H26FN3O/c24-20-7-9-23-19(14-20)6-8-21(25-23)16-26-11-12-27(22(17-26)10-13-28)15-18-4-2-1-3-5-18/h1-9,14,22,28H,10-13,15-17H2/p+1/t22-/m0/s1