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

Systemtic Name: 4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-2H-phthalazin-1-one Openeye Name: 4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)-2H-phthalazin-1-one Traditional Name: 4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)-2H-phthalazin-1-one Formula: C18H18N5O2+ MolecularWeight: 336.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H17N5O2/c24-17-15-4-2-1-3-14(15)16(20-21-17)18(25)23-11-9-22(10-12-23)13-5-7-19-8-6-13/h1-8H,9-12H2,(H,21,24)/p+1