2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]phthalazin-1-one

Systemtic Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]phthalazin-1-one Openeye Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]phthalazin-1-one CAS Name: 2-[5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]-1-phthalazinone IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]phthalazin-1-one Traditional Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]phthalazin-1-one Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C19H19N5O3/c1-21-8-10-22(11-9-21)15-6-7-17(24(26)27)18(12-15)23-19(25)16-5-3-2-4-14(16)13-20-23/h2-7,12-13H,8-11H2,1H3/p+1