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

Systemtic Name: 2-[(2S)-4-[(8-fluoranylquinolin-2-yl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(8-fluoro-2-quinolyl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-fluoro-2-quinolinyl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(8-fluoroquinolin-2-yl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(8-fluoro-2-quinolyl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C19H27FN3O+ MolecularWeight: 332.435583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=NC3=C(C=CC=C3F)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H26FN3O/c1-14(2)23-10-9-22(13-17(23)8-11-24)12-16-7-6-15-4-3-5-18(20)19(15)21-16/h3-7,14,17,24H,8-13H2,1-2H3/p+1/t17-/m0/s1