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

Systemtic Name: 8-methyl-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-methyl-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-methyl-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-methyl-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C23H25N6O2+ MolecularWeight: 417.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H24N6O2/c1-16-5-6-18-17(14-16)21-22(26-18)23(31)29(15-25-21)9-7-20(30)28-12-10-27(11-13-28)19-4-2-3-8-24-19/h2-6,8,14-15,26H,7,9-13H2,1H3/p+1