4-[5,6-bis(chloranyl)-2-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)benzimidazol-3-ium-1-yl]butanoic acid

Systemtic Name: 4-[5,6-bis(chloranyl)-2-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)benzimidazol-3-ium-1-yl]butanoic acid Openeye Name: 4-[5,6-dichloro-3-(4-hydroxy-4-oxo-butyl)-2-methyl-benzimidazol-3-ium-1-yl]butanoic acid CAS Name: 4-[5,6-dichloro-3-(4-hydroxy-4-oxobutyl)-2-methyl-1-benzimidazol-3-iumyl]butanoic acid IUPAC Name: 4-[5,6-dichloro-3-(4-hydroxy-4-oxobutyl)-2-methylbenzimidazol-3-ium-1-yl]butanoic acid Traditional Name: 4-[5,6-dichloro-3-(4-hydroxy-4-keto-butyl)-2-methyl-benzimidazol-3-ium-1-yl]butyric acid Formula: C16H19Cl2N2O4+ MolecularWeight: 374.23906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC(=C(C=C2N1CCCC(=O)O)Cl)Cl)CCCC(=O)O

Isomeric SMILES

CC1=[N+](C2=CC(=C(C=C2N1CCCC(=O)O)Cl)Cl)CCCC(=O)O

InChI

InChI=1S/C16H18Cl2N2O4/c1-10-19(6-2-4-15(21)22)13-8-11(17)12(18)9-14(13)20(10)7-3-5-16(23)24/h8-9H,2-7H2,1H3,(H-,21,22,23,24)/p+1