2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C17H19N6O+ MolecularWeight: 323.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)C4=NC=CC=N4

InChI

InChI=1S/C17H18N6O/c24-16-15-5-2-1-4-14(15)12-20-23(16)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h1-7,12H,8-11,13H2/p+1