ethyl 2-[2-azanyl-6-fluoranyl-3-(2,4,6-trimethylphenyl)benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-6-fluoranyl-3-(2,4,6-trimethylphenyl)benzimidazol-3-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-6-fluoro-3-(2,4,6-trimethylphenyl)benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[2-amino-6-fluoro-3-(2,4,6-trimethylphenyl)-1-benzimidazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-6-fluoro-3-(2,4,6-trimethylphenyl)benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-(2-amino-6-fluoro-3-mesityl-benzimidazol-3-ium-1-yl)acetic acid ethyl ester Formula: C20H23FN3O2+ MolecularWeight: 356.413923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)F)[N+](=C1N)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)F)[N+](=C1N)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C20H22FN3O2/c1-5-26-18(25)11-23-17-10-15(21)6-7-16(17)24(20(23)22)19-13(3)8-12(2)9-14(19)4/h6-10,22H,5,11H2,1-4H3/p+1