4-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

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