(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetate Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O3/c28-20-7-4-8-21(15-20)30-11-13-31(14-12-30)26(27(32)33)24-17-29-25-10-9-22(16-23(24)25)34-18-19-5-2-1-3-6-19/h1-10,15-17,26,29H,11-14,18H2,(H,32,33)/t26-/m1/s1