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

Systemtic Name: 3-[5,6-bis(chloranyl)-2,3-dimethyl-benzimidazol-3-ium-1-yl]propanoate Openeye Name: 3-(5,6-dichloro-2,3-dimethyl-benzimidazol-3-ium-1-yl)propanoate CAS Name: 3-(5,6-dichloro-2,3-dimethyl-1-benzimidazol-3-iumyl)propanoate IUPAC Name: 3-(5,6-dichloro-2,3-dimethylbenzimidazol-3-ium-1-yl)propanoate Traditional Name: 3-(5,6-dichloro-2,3-dimethyl-benzimidazol-3-ium-1-yl)propionate Formula: C12H12Cl2N2O2 MolecularWeight: 287.14188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC(=C(C=C2N1CCC(=O)[O-])Cl)Cl)C

Isomeric SMILES

CC1=[N+](C2=CC(=C(C=C2N1CCC(=O)[O-])Cl)Cl)C

InChI

InChI=1S/C12H12Cl2N2O2/c1-7-15(2)10-5-8(13)9(14)6-11(10)16(7)4-3-12(17)18/h5-6H,3-4H2,1-2H3