N-[1-ethyl-2-(2-fluorophenyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzimidazol-5-yl]ethanamide

Systemtic Name: N-[1-ethyl-2-(2-fluorophenyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzimidazol-5-yl]ethanamide Openeye Name: N-[1-ethyl-2-(2-fluorophenyl)-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide CAS Name: N-[1-ethyl-2-(2-fluorophenyl)-7-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5-benzimidazolyl]acetamide IUPAC Name: N-[1-ethyl-2-(2-fluorophenyl)-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide Traditional Name: N-[1-ethyl-2-(2-fluorophenyl)-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide Formula: C27H28FN6O2+ MolecularWeight: 487.548623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C)N=C1C5=CC=CC=C5F

Isomeric SMILES

CCN1C2=C(C=C(C=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C)N=C1C5=CC=CC=C5F

InChI

InChI=1S/C27H27FN6O2/c1-3-34-25-21(27(36)33-14-12-32(13-15-33)24-10-6-7-11-29-24)16-19(30-18(2)35)17-23(25)31-26(34)20-8-4-5-9-22(20)28/h4-11,16-17H,3,12-15H2,1-2H3,(H,30,35)/p+1