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

Systemtic Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-(4-ethyl-1-piperazin-4-iumyl)-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-3-23-10-12-24(13-11-23)16-8-9-19(26(28)29)20(14-16)25-21(27)18-7-5-4-6-17(18)15(2)22-25/h4-9,14H,3,10-13H2,1-2H3/p+1