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

Systemtic Name: 2-[(2S)-4-[(6-fluoranylquinolin-2-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-fluoro-2-quinolyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-fluoro-2-quinolinyl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-fluoroquinolin-2-yl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-fluoro-2-quinolyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C17H23FN3O+ MolecularWeight: 304.382423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22FN3O/c1-20-7-8-21(12-16(20)6-9-22)11-15-4-2-13-10-14(18)3-5-17(13)19-15/h2-5,10,16,22H,6-9,11-12H2,1H3/p+1/t16-/m0/s1