8-bromanyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-bromanyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-bromo-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-bromo-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-bromo-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-bromo-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C21H20BrN6O2+ MolecularWeight: 468.3265

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)Br

InChI

InChI=1S/C21H19BrN6O2/c22-14-4-5-16-15(11-14)19-20(25-16)21(30)28(13-24-19)12-18(29)27-9-7-26(8-10-27)17-3-1-2-6-23-17/h1-6,11,13,25H,7-10,12H2/p+1