1-butyl-5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-3-ium

Systemtic Name: 1-butyl-5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-3-ium Openeye Name: 1-butyl-5,6-dichloro-2-methyl-3-octyl-benzimidazol-3-ium CAS Name: 1-butyl-5,6-dichloro-2-methyl-3-octylbenzimidazol-3-ium IUPAC Name: 1-butyl-5,6-dichloro-2-methyl-3-octylbenzimidazol-3-ium Traditional Name: 1-butyl-5,6-dichloro-2-methyl-3-octyl-benzimidazol-3-ium Formula: C20H31Cl2N2+ MolecularWeight: 370.37954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31Cl2N2/c1-4-6-8-9-10-11-13-24-16(3)23(12-7-5-2)19-14-17(21)18(22)15-20(19)24/h14-15H,4-13H2,1-3H3/q+1