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

Systemtic Name: ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]benzimidazol-3-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)-2-furyl]benzimidazol-3-ium-1-yl]acetate bromide CAS Name: 2-[3-methyl-2-[5-(1-phenyl-3-pyrazolyl)-2-furanyl]-1-benzimidazol-3-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]benzimidazol-3-ium-1-yl]acetate bromide Traditional Name: 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)-2-furyl]benzimidazol-3-ium-1-yl]acetic acid ethyl ester bromide Formula: C25H23BrN4O3 MolecularWeight: 507.37912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(O3)C4=NN(C=C4)C5=CC=CC=C5)C.[Br-]

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(O3)C4=NN(C=C4)C5=CC=CC=C5)C.[Br-]

InChI

InChI=1S/C25H23N4O3.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;/h4-16H,3,17H2,1-2H3;1H/q+1;/p-1