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

Systemtic Name: 2-[(2S)-4-[(8-fluoranylquinolin-2-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(8-fluoro-2-quinolyl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-fluoro-2-quinolinyl)methyl]-1-(3-phenylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(8-fluoroquinolin-2-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(8-fluoro-2-quinolyl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C25H31FN3O+ MolecularWeight: 408.531543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=NC3=C(C=CC=C3F)C=C2)CCO)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=NC3=C(C=CC=C3F)C=C2)CCO)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H30FN3O/c26-24-10-4-9-21-11-12-22(27-25(21)24)18-28-15-16-29(23(19-28)13-17-30)14-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-12,23,30H,5,8,13-19H2/p+1/t23-/m0/s1