2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-5-nitro-benzimidazole

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-5-nitro-benzimidazole Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-5-nitro-benzimidazole CAS Name: 2-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]ethyl]-1-methyl-5-nitrobenzimidazole IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-5-nitrobenzimidazole Traditional Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-5-nitro-benzimidazole Formula: C20H23FN5O2+ MolecularWeight: 384.427323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN5O2/c1-23-19-7-6-17(26(27)28)14-18(19)22-20(23)8-9-24-10-12-25(13-11-24)16-4-2-15(21)3-5-16/h2-7,14H,8-13H2,1H3/p+1