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

Systemtic Name: 4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]piperazin-4-ium-2-one Formula: C18H17FN5O3+ MolecularWeight: 370.357683

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN5O3/c19-12-1-3-13(4-2-12)23-16-6-5-14(24(26)27)9-15(16)21-17(23)10-22-8-7-20-18(25)11-22/h1-6,9H,7-8,10-11H2,(H,20,25)/p+1