2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C19H19ClN5O3+ MolecularWeight: 400.83886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O3/c20-15-5-6-17(18(11-15)25(27)28)23-9-7-22(8-10-23)13-24-19(26)16-4-2-1-3-14(16)12-21-24/h1-6,11-12H,7-10,13H2/p+1