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

Systemtic Name: 3-[5,6-bis(chloranyl)-2,3-dimethyl-benzimidazol-3-ium-1-yl]propyl ethanoate iodide Openeye Name: 3-(5,6-dichloro-2,3-dimethyl-benzimidazol-3-ium-1-yl)propyl acetate iodide CAS Name: acetic acid 3-(5,6-dichloro-2,3-dimethyl-1-benzimidazol-3-iumyl)propyl ester iodide IUPAC Name: 3-(5,6-dichloro-2,3-dimethylbenzimidazol-3-ium-1-yl)propyl acetate iodide Traditional Name: acetic acid 3-(5,6-dichloro-2,3-dimethyl-benzimidazol-3-ium-1-yl)propyl ester iodide Formula: C14H17Cl2IN2O2 MolecularWeight: 443.10745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC(=C(C=C2N1CCCOC(=O)C)Cl)Cl)C.[I-]

Isomeric SMILES

CC1=[N+](C2=CC(=C(C=C2N1CCCOC(=O)C)Cl)Cl)C.[I-]

InChI

InChI=1S/C14H17Cl2N2O2.HI/c1-9-17(3)13-7-11(15)12(16)8-14(13)18(9)5-4-6-20-10(2)19;/h7-8H,4-6H2,1-3H3;1H/q+1;/p-1