1-methyl-3-(phenylmethyl)-2-undecyl-1,2-dihydrobenzimidazol-1-ium bromide

Systemtic Name: 1-methyl-3-(phenylmethyl)-2-undecyl-1,2-dihydrobenzimidazol-1-ium bromide Openeye Name: 3-benzyl-1-methyl-2-undecyl-1,2-dihydrobenzimidazol-1-ium bromide CAS Name: 1-methyl-3-(phenylmethyl)-2-undecyl-1,2-dihydrobenzimidazol-1-ium bromide IUPAC Name: 3-benzyl-1-methyl-2-undecyl-1,2-dihydrobenzimidazol-1-ium bromide Traditional Name: 3-benzyl-1-methyl-2-undecyl-1,2-dihydrobenzimidazol-1-ium bromide Formula: C26H39BrN2 MolecularWeight: 459.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1[NH+](C2=CC=CC=C2N1CC3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC1[NH+](C2=CC=CC=C2N1CC3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C26H38N2.BrH/c1-3-4-5-6-7-8-9-10-14-21-26-27(2)24-19-15-16-20-25(24)28(26)22-23-17-12-11-13-18-23;/h11-13,15-20,26H,3-10,14,21-22H2,1-2H3;1H