2-methyl-4-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phthalazin-1-one Openeye Name: 2-methyl-4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phthalazin-1-one CAS Name: 2-methyl-4-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phthalazin-1-one Traditional Name: 4-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-2-methyl-phthalazin-1-one Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H21N5O2/c1-23-20(27)17-5-3-2-4-16(17)18(22-23)14-19(26)25-12-10-24(11-13-25)15-6-8-21-9-7-15/h2-9H,10-14H2,1H3/p+1