2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C19H18ClN4O4+ MolecularWeight: 401.82362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O4/c20-13-5-6-16(17(11-13)24(27)28)22-9-7-21(8-10-22)12-23-18(25)14-3-1-2-4-15(14)19(23)26/h1-6,11H,7-10,12H2/p+1