1-[4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C20H21FN5O3+ MolecularWeight: 398.410843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN5O3/c1-14(27)24-10-8-23(9-11-24)13-20-22-18-12-17(26(28)29)6-7-19(18)25(20)16-4-2-15(21)3-5-16/h2-7,12H,8-11,13H2,1H3/p+1