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

Systemtic Name: 2-[(2S)-4-[(6-fluoranylquinolin-2-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-fluoro-2-quinolyl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-fluoro-2-quinolinyl)methyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-fluoroquinolin-2-yl)methyl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-fluoro-2-quinolyl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C24H29FN3O+ MolecularWeight: 394.504963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=NC3=C(C=C2)C=C(C=C3)F)CCO)CCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=NC3=C(C=C2)C=C(C=C3)F)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28FN3O/c25-21-7-9-24-20(16-21)6-8-22(26-24)17-27-13-14-28(23(18-27)11-15-29)12-10-19-4-2-1-3-5-19/h1-9,16,23,29H,10-15,17-18H2/p+1/t23-/m0/s1