1-dodecyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-2-amine bromide

Systemtic Name: 1-dodecyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-2-amine bromide Openeye Name: 1-dodecyl-3-(p-tolylmethyl)benzimidazol-3-ium-2-amine bromide CAS Name: 1-dodecyl-3-[(4-methylphenyl)methyl]-2-benzimidazol-3-iumamine bromide IUPAC Name: 1-dodecyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-2-amine bromide Traditional Name: [1-lauryl-3-(4-methylbenzyl)benzimidazol-3-ium-2-yl]amine bromide Formula: C27H40BrN3 MolecularWeight: 486.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC3=CC=C(C=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC3=CC=C(C=C3)C.[Br-]

InChI

InChI=1S/C27H39N3.BrH/c1-3-4-5-6-7-8-9-10-11-14-21-29-25-15-12-13-16-26(25)30(27(29)28)22-24-19-17-23(2)18-20-24;/h12-13,15-20,28H,3-11,14,21-22H2,1-2H3;1H