ethyl 2-[5,6-bis(chloranyl)-2,3-dimethyl-benzimidazol-3-ium-1-yl]ethanoate iodide

Systemtic Name: ethyl 2-[5,6-bis(chloranyl)-2,3-dimethyl-benzimidazol-3-ium-1-yl]ethanoate iodide Openeye Name: ethyl 2-(5,6-dichloro-2,3-dimethyl-benzimidazol-3-ium-1-yl)acetate iodide CAS Name: 2-(5,6-dichloro-2,3-dimethyl-1-benzimidazol-3-iumyl)acetic acid ethyl ester iodide IUPAC Name: ethyl 2-(5,6-dichloro-2,3-dimethylbenzimidazol-3-ium-1-yl)acetate iodide Traditional Name: 2-(5,6-dichloro-2,3-dimethyl-benzimidazol-3-ium-1-yl)acetic acid ethyl ester iodide Formula: C13H15Cl2IN2O2 MolecularWeight: 429.08087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)C)C.[I-]

Isomeric SMILES

CCOC(=O)CN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)C)C.[I-]

InChI

InChI=1S/C13H15Cl2N2O2.HI/c1-4-19-13(18)7-17-8(2)16(3)11-5-9(14)10(15)6-12(11)17;/h5-6H,4,7H2,1-3H3;1H/q+1;/p-1