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

Systemtic Name: methyl 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: methyl 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1,3-diethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid methyl ester Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N2O2/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/q+1