methyl 2-(3-methoxyphenyl)-1H-benzimidazol-1-ium-4-carboxylate ethanoate

Systemtic Name: methyl 2-(3-methoxyphenyl)-1H-benzimidazol-1-ium-4-carboxylate ethanoate Openeye Name: methyl 2-(3-methoxyphenyl)-1H-benzimidazol-1-ium-4-carboxylate acetate CAS Name: 2-(3-methoxyphenyl)-1H-benzimidazol-1-ium-4-carboxylic acid methyl ester acetate IUPAC Name: methyl 2-(3-methoxyphenyl)-1H-benzimidazol-1-ium-4-carboxylate acetate Traditional Name: 2-(3-methoxyphenyl)-1H-benzimidazol-1-ium-4-carboxylic acid methyl ester acetate Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=CC=CC(=C1)C2=NC3=C(C=CC=C3[NH2+]2)C(=O)OC

Isomeric SMILES

CC(=O)[O-].COC1=CC=CC(=C1)C2=NC3=C(C=CC=C3[NH2+]2)C(=O)OC

InChI

InChI=1S/C16H14N2O3.C2H4O2/c1-20-11-6-3-5-10(9-11)15-17-13-8-4-7-12(14(13)18-15)16(19)21-2;1-2(3)4/h3-9H,1-2H3,(H,17,18);1H3,(H,3,4)