2-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxy-phenyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxy-phenyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxyphenyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxyphenyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]benzimidazol-1-yl]acetate Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC3=CC=CC=C3N2CC(=O)[O-])OCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC3=CC=CC=C3N2CC(=O)[O-])OCC[NH+](C)C

InChI

InChI=1S/C21H25N3O4/c1-4-27-19-13-15(9-10-18(19)28-12-11-23(2)3)21-22-16-7-5-6-8-17(16)24(21)14-20(25)26/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,26)