methyl 1-cyclohexyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate iodide

Systemtic Name: methyl 1-cyclohexyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate iodide Openeye Name: methyl 1-cyclohexyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 1-cyclohexyl-3-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 1-cyclohexyl-3-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 1-cyclohexyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid methyl ester iodide Formula: C18H25IN2O2 MolecularWeight: 428.30777

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)C3CCCCC3)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)C3CCCCC3)C.[I-]

InChI

InChI=1S/C18H25N2O2.HI/c1-4-19-13(2)20(15-8-6-5-7-9-15)16-11-10-14(12-17(16)19)18(21)22-3;/h10-12,15H,4-9H2,1-3H3;1H/q+1;/p-1