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

Systemtic Name: 4-[5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-1-ium-1-yl]butanoic acid Openeye Name: 4-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium-1-yl)butanoic acid CAS Name: 4-(5,6-dichloro-2-methyl-3-octyl-1-benzimidazol-1-iumyl)butanoic acid IUPAC Name: 4-(5,6-dichloro-2-methyl-3-octylbenzimidazol-1-ium-1-yl)butanoic acid Traditional Name: 4-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium-1-yl)butyric acid Formula: C20H29Cl2N2O2+ MolecularWeight: 400.36246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCC(=O)O)C

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCC(=O)O)C

InChI

InChI=1S/C20H28Cl2N2O2/c1-3-4-5-6-7-8-11-23-15(2)24(12-9-10-20(25)26)19-14-17(22)16(21)13-18(19)23/h13-14H,3-12H2,1-2H3/p+1