4-[[3-(2,6-dimethylphenyl)-3-(2-methoxyethanoyl)-2H-imidazol-3-ium-1-yl]carbonyloxy]butanoic acid

Systemtic Name: 4-[[3-(2,6-dimethylphenyl)-3-(2-methoxyethanoyl)-2H-imidazol-3-ium-1-yl]carbonyloxy]butanoic acid Openeye Name: 4-[3-(2,6-dimethylphenyl)-3-(2-methoxyacetyl)-2H-imidazol-3-ium-1-carbonyl]oxybutanoic acid CAS Name: 4-[[3-(2,6-dimethylphenyl)-3-(2-methoxy-1-oxoethyl)-2H-imidazol-3-ium-1-yl]-oxomethoxy]butanoic acid IUPAC Name: 4-[3-(2,6-dimethylphenyl)-3-(2-methoxyacetyl)-2H-imidazol-3-ium-1-carbonyl]oxybutanoic acid Traditional Name: 4-[3-(2,6-dimethylphenyl)-3-(2-methoxyacetyl)-4-imidazolin-3-ium-1-carbonyl]oxybutyric acid Formula: C19H25N2O6+ MolecularWeight: 377.4116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2(CN(C=C2)C(=O)OCCCC(=O)O)C(=O)COC

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2(CN(C=C2)C(=O)OCCCC(=O)O)C(=O)COC

InChI

InChI=1S/C19H24N2O6/c1-14-6-4-7-15(2)18(14)21(16(22)12-26-3)10-9-20(13-21)19(25)27-11-5-8-17(23)24/h4,6-7,9-10H,5,8,11-13H2,1-3H3/p+1