1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid

Systemtic Name: 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid Openeye Name: 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid CAS Name: 1,3-diethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid IUPAC Name: 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylic acid Traditional Name: 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)O)CC)C

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)O)CC)C

InChI

InChI=1S/C13H16N2O2/c1-4-14-9(3)15(5-2)12-8-10(13(16)17)6-7-11(12)14/h6-8H,4-5H2,1-3H3/p+1