methyl 4-[[4-(2-cyclobutyl-5-fluoranyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2-cyclobutyl-5-fluoranyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-cyclobutyl-5-fluoro-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(2-cyclobutyl-5-fluoro-1-benzimidazolyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-cyclobutyl-5-fluoro-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C25H29FN3O2+ MolecularWeight: 422.515063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=C3C5CCC5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=C3C5CCC5

InChI

InChI=1S/C25H28FN3O2/c1-31-25(30)19-7-5-17(6-8-19)16-28-13-11-21(12-14-28)29-23-10-9-20(26)15-22(23)27-24(29)18-3-2-4-18/h5-10,15,18,21H,2-4,11-14,16H2,1H3/p+1