2-methyl-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-methyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phthalazin-1-one Formula: C19H20N5O2+ MolecularWeight: 350.3944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O2/c1-22-18(25)16-5-3-2-4-15(16)17(21-22)19(26)24-12-10-23(11-13-24)14-6-8-20-9-7-14/h2-9H,10-13H2,1H3/p+1