2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C22H27FN3O+ MolecularWeight: 368.467683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CNC3=CC=CC=C32)CCO)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CNC3=CC=CC=C32)CCO)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O/c23-19-7-5-17(6-8-19)14-26-11-10-25(16-20(26)9-12-27)15-18-13-24-22-4-2-1-3-21(18)22/h1-8,13,20,24,27H,9-12,14-16H2/p+1/t20-/m0/s1