methyl 1-cyclohexyl-2,3-dimethyl-benzimidazol-1-ium-5-carboxylate iodide

Systemtic Name: methyl 1-cyclohexyl-2,3-dimethyl-benzimidazol-1-ium-5-carboxylate iodide Openeye Name: methyl 1-cyclohexyl-2,3-dimethyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 1-cyclohexyl-2,3-dimethyl-5-benzimidazol-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 1-cyclohexyl-2,3-dimethylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 1-cyclohexyl-2,3-dimethyl-benzimidazol-1-ium-5-carboxylic acid methyl ester iodide Formula: C17H23IN2O2 MolecularWeight: 414.28119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C)C=C(C=C2)C(=O)OC)C3CCCCC3.[I-]

Isomeric SMILES

CC1=[N+](C2=C(N1C)C=C(C=C2)C(=O)OC)C3CCCCC3.[I-]

InChI

InChI=1S/C17H23N2O2.HI/c1-12-18(2)16-11-13(17(20)21-3)9-10-15(16)19(12)14-7-5-4-6-8-14;/h9-11,14H,4-8H2,1-3H3;1H/q+1;/p-1