methyl 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylate iodide

Systemtic Name: methyl 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylate iodide Openeye Name: methyl 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 1,3-diethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid methyl ester iodide Formula: C14H19IN2O2 MolecularWeight: 374.21733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)CC)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)CC)C.[I-]

InChI

InChI=1S/C14H19N2O2.HI/c1-5-15-10(3)16(6-2)13-9-11(14(17)18-4)7-8-12(13)15;/h7-9H,5-6H2,1-4H3;1H/q+1;/p-1