(2R)-2-(2-phenyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-(4-phenyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetate Formula: C26H25N3O2 MolecularWeight: 411.4956

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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

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

InChI

InChI=1S/C26H25N3O2/c30-26(31)25(29-17-15-28(16-18-29)20-11-5-2-6-12-20)23-21-13-7-8-14-22(21)27-24(23)19-9-3-1-4-10-19/h1-14,25,27H,15-18H2,(H,30,31)/t25-/m1/s1