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

Systemtic Name: (2S)-2-[4-(3-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(3-cyano-2-pyridyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(3-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(3-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(3-cyano-2-pyridyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Formula: C21H21N5O2 MolecularWeight: 375.42374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)C4=C(C=CC=N4)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C21H21N5O2/c1-14-18(16-6-2-3-7-17(16)24-14)19(21(27)28)25-9-11-26(12-10-25)20-15(13-22)5-4-8-23-20/h2-8,19,24H,9-12H2,1H3,(H,27,28)/t19-/m0/s1