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

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H18FN4O4+ MolecularWeight: 385.369023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C19H17FN4O4/c20-13-4-6-14(7-5-13)22-10-8-21(9-11-22)12-23-18(25)15-2-1-3-16(24(27)28)17(15)19(23)26/h1-7H,8-12H2/p+1