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

Systemtic Name: 2-[(2S)-4-[(8-fluoranylquinolin-2-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(8-fluoro-2-quinolyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-fluoro-2-quinolinyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(8-fluoroquinolin-2-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(8-fluoro-2-quinolyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C20H29FN3O+ MolecularWeight: 346.462163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28FN3O/c1-15(2)12-24-10-9-23(14-18(24)8-11-25)13-17-7-6-16-4-3-5-19(21)20(16)22-17/h3-7,15,18,25H,8-14H2,1-2H3/p+1/t18-/m0/s1