2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c25-19-18-4-2-1-3-15(18)13-20-23(19)14-21-9-11-22(12-10-21)16-5-7-17(8-6-16)24(26)27/h1-8,13H,9-12,14H2/p+1