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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-dodecyl-benzimidazol-1-ium-2-amine bromide Openeye Name: 1-[(4-chlorophenyl)methyl]-3-dodecyl-benzimidazol-1-ium-2-amine bromide CAS Name: 1-[(4-chlorophenyl)methyl]-3-dodecyl-2-benzimidazol-1-iumamine bromide IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-dodecylbenzimidazol-1-ium-2-amine bromide Traditional Name: [1-(4-chlorobenzyl)-3-lauryl-benzimidazol-1-ium-2-yl]amine bromide Formula: C26H37BrClN3 MolecularWeight: 506.94908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36ClN3.BrH/c1-2-3-4-5-6-7-8-9-10-13-20-29-24-14-11-12-15-25(24)30(26(29)28)21-22-16-18-23(27)19-17-22;/h11-12,14-19,28H,2-10,13,20-21H2,1H3;1H