ethyl 3-(2-acetyloxyethyl)-1-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-(2-acetyloxyethyl)-1-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-(2-acetoxyethyl)-1-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-(2-acetyloxyethyl)-1-(2-hydroxyethyl)-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-acetyloxyethyl)-1-(2-hydroxyethyl)-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-(2-acetoxyethyl)-1-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C17H23N2O5+ MolecularWeight: 335.37492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[N+](=C(N2CCOC(=O)C)C)CCO

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[N+](=C(N2CCOC(=O)C)C)CCO

InChI

InChI=1S/C17H23N2O5/c1-4-23-17(22)14-5-6-15-16(11-14)19(8-10-24-13(3)21)12(2)18(15)7-9-20/h5-6,11,20H,4,7-10H2,1-3H3/q+1