9-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole

Systemtic Name: 9-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole Openeye Name: 9-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole CAS Name: 9-methoxy-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 9-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole Traditional Name: 9-methoxy-4-(4-pyridin-1-ium-2-ylpiperazino)-5H-pyrimid[5,4-b]indole Formula: C20H21N6O+ MolecularWeight: 361.42034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C20H20N6O/c1-27-15-6-4-5-14-17(15)18-19(24-14)20(23-13-22-18)26-11-9-25(10-12-26)16-7-2-3-8-21-16/h2-8,13,24H,9-12H2,1H3/p+1