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

Systemtic Name: 8-fluoranyl-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-fluoro-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-fluoro-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-fluoro-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-fluoro-3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C22H22FN6O2+ MolecularWeight: 421.447483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)F

InChI

InChI=1S/C22H21FN6O2/c23-15-4-5-17-16(13-15)20-21(26-17)22(31)29(14-25-20)8-6-19(30)28-11-9-27(10-12-28)18-3-1-2-7-24-18/h1-5,7,13-14,26H,6,8-12H2/p+1