methyl 2-[1-ethyl-3-[2-(4-fluorophenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-benzimidazol-1-ium-1-yl]benzoate

Systemtic Name: methyl 2-[1-ethyl-3-[2-(4-fluorophenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-benzimidazol-1-ium-1-yl]benzoate Openeye Name: methyl 2-[1-ethyl-3-[2-(4-fluorobenzoyl)-1-piperidyl]-2-oxo-benzimidazol-1-ium-1-yl]benzoate CAS Name: 2-[1-ethyl-3-[2-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-2-oxo-1-benzimidazol-1-iumyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-ethyl-3-[2-(4-fluorobenzoyl)piperidin-1-yl]-2-oxobenzimidazol-1-ium-1-yl]benzoate Traditional Name: 2-[1-ethyl-3-[2-(4-fluorobenzoyl)piperidino]-2-keto-benzimidazol-1-ium-1-yl]benzoic acid methyl ester Formula: C29H29FN3O4+ MolecularWeight: 502.556663

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=CC=CC=C2N(C1=O)N3CCCCC3C(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5C(=O)OC

Isomeric SMILES

CC[N+]1(C2=CC=CC=C2N(C1=O)N3CCCCC3C(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C29H29FN3O4/c1-3-33(25-13-6-4-10-22(25)28(35)37-2)26-14-7-5-11-23(26)32(29(33)36)31-19-9-8-12-24(31)27(34)20-15-17-21(30)18-16-20/h4-7,10-11,13-18,24H,3,8-9,12,19H2,1-2H3/q+1