5,6-dibutoxy-1,3-dibutyl-benzimidazol-3-ium bromide

Systemtic Name: 5,6-dibutoxy-1,3-dibutyl-benzimidazol-3-ium bromide Openeye Name: 5,6-dibutoxy-1,3-dibutyl-benzimidazol-3-ium bromide CAS Name: 5,6-dibutoxy-1,3-dibutylbenzimidazol-3-ium bromide IUPAC Name: 5,6-dibutoxy-1,3-dibutylbenzimidazol-3-ium bromide Traditional Name: 5,6-dibutoxy-1,3-dibutyl-benzimidazol-3-ium bromide Formula: C23H39BrN2O2 MolecularWeight: 455.47196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C2=CC(=C(C=C21)OCCCC)OCCCC)CCCC.[Br-]

Isomeric SMILES

CCCCN1C=[N+](C2=CC(=C(C=C21)OCCCC)OCCCC)CCCC.[Br-]

InChI

InChI=1S/C23H39N2O2.BrH/c1-5-9-13-24-19-25(14-10-6-2)21-18-23(27-16-12-8-4)22(17-20(21)24)26-15-11-7-3;/h17-19H,5-16H2,1-4H3;1H/q+1;/p-1