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

Systemtic Name: methyl 3-(2-acetyloxyethyl)-1-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H21N2O5+ MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CCOC(=O)C)C=C(C=C2)C(=O)OC)CCO

Isomeric SMILES

CC1=[N+](C2=C(N1CCOC(=O)C)C=C(C=C2)C(=O)OC)CCO

InChI

InChI=1S/C16H21N2O5/c1-11-17(6-8-19)14-5-4-13(16(21)22-3)10-15(14)18(11)7-9-23-12(2)20/h4-5,10,19H,6-9H2,1-3H3/q+1