ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]-1,2-dihydrobenzimidazol-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]-1,2-dihydrobenzimidazol-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)-2-furyl]-1,2-dihydrobenzimidazol-1-ium-1-yl]acetate bromide CAS Name: 2-[3-methyl-2-[5-(1-phenyl-3-pyrazolyl)-2-furanyl]-1,2-dihydrobenzimidazol-1-ium-1-yl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]-1,2-dihydrobenzimidazol-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)-2-furyl]-1,2-dihydrobenzimidazol-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C25H25BrN4O3 MolecularWeight: 509.395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1C(N(C2=CC=CC=C21)C)C3=CC=C(O3)C4=NN(C=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCOC(=O)C[NH+]1C(N(C2=CC=CC=C21)C)C3=CC=C(O3)C4=NN(C=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C25H24N4O3.BrH/c1-3-31-24(30)17-28-21-12-8-7-11-20(21)27(2)25(28)23-14-13-22(32-23)19-15-16-29(26-19)18-9-5-4-6-10-18;/h4-16,25H,3,17H2,1-2H3;1H