1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-indole-2,3-dione

Systemtic Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-indole-2,3-dione Openeye Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-indoline-2,3-dione CAS Name: 1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-nitroindole-2,3-dione IUPAC Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitroindole-2,3-dione Traditional Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-isatin Formula: C19H18FN4O4+ MolecularWeight: 385.369023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O)C4=CC=C(C=C4)F

InChI

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