2-[(2S)-4-[(8-fluoranylquinolin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(8-fluoranylquinolin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(8-fluoro-2-quinolyl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-fluoro-2-quinolinyl)methyl]-1-(3-methylbut-2-enyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(8-fluoroquinolin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(8-fluoro-2-quinolyl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C21H29FN3O+ MolecularWeight: 358.472863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN3O/c1-16(2)8-10-25-12-11-24(15-19(25)9-13-26)14-18-7-6-17-4-3-5-20(22)21(17)23-18/h3-8,19,26H,9-15H2,1-2H3/p+1/t19-/m0/s1