(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-(6-benzyloxy-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(6-benzoxy-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetate Formula: C27H26FN3O3 MolecularWeight: 459.512043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-])C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-])C5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FN3O3/c28-20-6-8-21(9-7-20)30-12-14-31(15-13-30)26(27(32)33)24-17-29-25-16-22(10-11-23(24)25)34-18-19-4-2-1-3-5-19/h1-11,16-17,26,29H,12-15,18H2,(H,32,33)/t26-/m1/s1