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

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(2-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(2-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-(2-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=NC3=CC=CC=C3C=C2)CCO)CC4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O/c24-20-8-5-18(6-9-20)15-27-13-12-26(17-22(27)11-14-28)16-21-10-7-19-3-1-2-4-23(19)25-21/h1-10,22,28H,11-17H2/p+1/t22-/m0/s1