4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C19H20N5O2+ MolecularWeight: 350.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H19N5O2/c25-18-16-4-2-1-3-15(16)17(21-22-18)19(26)24-11-9-23(10-12-24)13-14-5-7-20-8-6-14/h1-8H,9-13H2,(H,22,25)/p+1