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

Systemtic Name: 2-[(2S)-4-[(6-fluoranylquinolin-2-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-fluoro-2-quinolyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-fluoro-2-quinolinyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-fluoroquinolin-2-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-fluoro-2-quinolyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C20H29FN3O+ MolecularWeight: 346.462163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=NC3=C(C=C2)C=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H28FN3O/c1-15(2)12-24-9-8-23(14-19(24)7-10-25)13-18-5-3-16-11-17(21)4-6-20(16)22-18/h3-6,11,15,19,25H,7-10,12-14H2,1-2H3/p+1/t19-/m0/s1