ethyl 2-[2-azanyl-3-[(2-fluorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-[(2-fluorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[(2-fluorophenyl)methyl]benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[(2-fluorophenyl)methyl]-1-benzimidazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-[(2-fluorophenyl)methyl]benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(2-fluorobenzyl)benzimidazol-3-ium-1-yl]acetic acid ethyl ester Formula: C18H19FN3O2+ MolecularWeight: 328.360763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3F

InChI

InChI=1S/C18H18FN3O2/c1-2-24-17(23)12-22-16-10-6-5-9-15(16)21(18(22)20)11-13-7-3-4-8-14(13)19/h3-10,20H,2,11-12H2,1H3/p+1