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

Systemtic Name: 2-[2-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[2-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[2-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[2-[3-(dimethylammonio)propoxy]-3-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=C1OC)C2=NC3=CC=CC=C3N2CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC=C1OC)C2=NC3=CC=CC=C3N2CC(=O)[O-]

InChI

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