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

Systemtic Name: 2-[5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium-1-yl)acetic acid CAS Name: 2-(5,6-dichloro-2-methyl-3-octyl-1-benzimidazol-1-iumyl)acetic acid IUPAC Name: 2-(5,6-dichloro-2-methyl-3-octylbenzimidazol-1-ium-1-yl)acetic acid Traditional Name: 2-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium-1-yl)acetic acid Formula: C18H25Cl2N2O2+ MolecularWeight: 372.3093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24Cl2N2O2/c1-3-4-5-6-7-8-9-21-13(2)22(12-18(23)24)17-11-15(20)14(19)10-16(17)21/h10-11H,3-9,12H2,1-2H3/p+1