(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Formula: C20H20FN3O2 MolecularWeight: 353.390103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O2/c21-14-5-7-15(8-6-14)23-9-11-24(12-10-23)19(20(25)26)17-13-22-18-4-2-1-3-16(17)18/h1-8,13,19,22H,9-12H2,(H,25,26)/t19-/m1/s1