N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]ethyl]-1-methyl-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-3-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(=CC=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(=CC=C3)[N+](=O)[O-])N=C1CC[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

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