2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)phthalazin-1-one

Systemtic Name: 2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)phthalazin-1-one Openeye Name: 2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)phthalazin-1-one CAS Name: 2-[2-nitro-5-(1-piperazin-4-iumyl)phenyl]-1-phthalazinone IUPAC Name: 2-(2-nitro-5-piperazin-4-ium-1-ylphenyl)phthalazin-1-one Traditional Name: 2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)phthalazin-1-one Formula: C18H18N5O3+ MolecularWeight: 352.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C18H17N5O3/c24-18-15-4-2-1-3-13(15)12-20-22(18)17-11-14(5-6-16(17)23(25)26)21-9-7-19-8-10-21/h1-6,11-12,19H,7-10H2/p+1