1-[4-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[(5,6-dimethyl-1-benzimidazolyl)methyl]-1-piperazin-4-iumyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-3-fluoro-phenyl]ethanone Formula: C22H26FN4O+ MolecularWeight: 381.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

InChI

InChI=1S/C22H25FN4O/c1-15-10-20-22(11-16(15)2)27(13-24-20)14-25-6-8-26(9-7-25)21-5-4-18(17(3)28)12-19(21)23/h4-5,10-13H,6-9,14H2,1-3H3/p+1