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

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C26H24ClN3O2 MolecularWeight: 445.94066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H24ClN3O2/c27-19-9-6-10-20(17-19)29-13-15-30(16-14-29)25(26(31)32)23-21-11-4-5-12-22(21)28-24(23)18-7-2-1-3-8-18/h1-12,17,25,28H,13-16H2,(H,31,32)/t25-/m1/s1