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

Systemtic Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[2-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]ethyl]-1-methyl-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide Formula: C27H28FN6O3+ MolecularWeight: 503.548023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CC[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CC[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H27FN6O3/c1-31-25-11-6-21(29-27(35)19-2-7-23(8-3-19)34(36)37)18-24(25)30-26(31)12-13-32-14-16-33(17-15-32)22-9-4-20(28)5-10-22/h2-11,18H,12-17H2,1H3,(H,29,35)/p+1