N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-[2,3-bis(2-pyridyl)quinoxalin-6-yl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C28H25N8O+ MolecularWeight: 489.5511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NC3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=N5)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NC3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=N5)C6=CC=CC=N6

InChI

InChI=1S/C28H24N8O/c37-28(36-17-15-35(16-18-36)25-9-3-6-14-31-25)32-20-10-11-21-24(19-20)34-27(23-8-2-5-13-30-23)26(33-21)22-7-1-4-12-29-22/h1-14,19H,15-18H2,(H,32,37)/p+1