1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole

Systemtic Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole Openeye Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole CAS Name: 1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-6-nitroindazole IUPAC Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-nitroindazole Traditional Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole Formula: C18H19FN5O2+ MolecularWeight: 356.374163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H18FN5O2/c19-15-2-5-16(6-3-15)22-9-7-21(8-10-22)13-23-18-11-17(24(25)26)4-1-14(18)12-20-23/h1-6,11-12H,7-10,13H2/p+1