2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(quinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(quinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(5-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(5-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(quinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-(5-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C23H27FN3O+ MolecularWeight: 380.478383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=C3C=CC=NC3=CC=C2)CCO)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=C3C=CC=NC3=CC=C2)CCO)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O/c24-20-8-6-18(7-9-20)15-27-13-12-26(17-21(27)10-14-28)16-19-3-1-5-23-22(19)4-2-11-25-23/h1-9,11,21,28H,10,12-17H2/p+1/t21-/m0/s1