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

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazino)-5H-pyrimid[5,4-b]indole Formula: C19H19N6+ MolecularWeight: 331.39436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=NC4=C3NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=NC4=C3NC5=CC=CC=C54

InChI

InChI=1S/C19H18N6/c1-2-6-15-14(5-1)17-18(23-15)19(22-13-21-17)25-11-9-24(10-12-25)16-7-3-4-8-20-16/h1-8,13,23H,9-12H2/p+1