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

Systemtic Name: 3-[5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-3-ium-1-yl]propanoic acid Openeye Name: 3-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-3-ium-1-yl)propanoic acid CAS Name: 3-(5,6-dichloro-2-methyl-3-octyl-1-benzimidazol-3-iumyl)propanoic acid IUPAC Name: 3-(5,6-dichloro-2-methyl-3-octylbenzimidazol-3-ium-1-yl)propanoic acid Traditional Name: 3-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-3-ium-1-yl)propionic acid Formula: C19H27Cl2N2O2+ MolecularWeight: 386.33588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(N(C2=CC(=C(C=C21)Cl)Cl)CCC(=O)O)C

Isomeric SMILES

CCCCCCCC[N+]1=C(N(C2=CC(=C(C=C21)Cl)Cl)CCC(=O)O)C

InChI

InChI=1S/C19H26Cl2N2O2/c1-3-4-5-6-7-8-10-22-14(2)23(11-9-19(24)25)18-13-16(21)15(20)12-17(18)22/h12-13H,3-11H2,1-2H3/p+1