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

Systemtic Name: (2R)-2-[4-(3-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(3-cyano-2-pyridyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(3-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(3-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(3-cyano-2-pyridyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C26H23N5O2 MolecularWeight: 437.49312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])C5=C(C=CC=N5)C#N

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])C5=C(C=CC=N5)C#N

InChI

InChI=1S/C26H23N5O2/c27-17-19-9-6-12-28-25(19)31-15-13-30(14-16-31)24(26(32)33)22-20-10-4-5-11-21(20)29-23(22)18-7-2-1-3-8-18/h1-12,24,29H,13-16H2,(H,32,33)/t24-/m1/s1