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

Systemtic Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-benzofuranylmethyl)-1-[(4-fluorophenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-(4-fluorobenzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H26FN2O2+ MolecularWeight: 369.452443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC3=CC=CC=C3O2)CCO)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC3=CC=CC=C3O2)CCO)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN2O2/c23-19-7-5-17(6-8-19)14-25-11-10-24(15-20(25)9-12-26)16-21-13-18-3-1-2-4-22(18)27-21/h1-8,13,20,26H,9-12,14-16H2/p+1/t20-/m0/s1