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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC(=C1)OC)C2=NC3=CC=CC=C3N2CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC(=C1)OC)C2=NC3=CC=CC=C3N2CC(=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-23(2)11-6-12-28-19-13-15(27-3)9-10-16(19)21-22-17-7-4-5-8-18(17)24(21)14-20(25)26/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H,25,26)