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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-dodecyl-benzimidazol-1-ium-2-amine bromide Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3-dodecyl-benzimidazol-1-ium-2-amine bromide CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-dodecyl-2-benzimidazol-1-iumamine bromide IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3-dodecylbenzimidazol-1-ium-2-amine bromide Traditional Name: [1-(3,4-dichlorobenzyl)-3-lauryl-benzimidazol-1-ium-2-yl]amine bromide Formula: C26H36BrCl2N3 MolecularWeight: 541.39414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35Cl2N3.BrH/c1-2-3-4-5-6-7-8-9-10-13-18-30-24-14-11-12-15-25(24)31(26(30)29)20-21-16-17-22(27)23(28)19-21;/h11-12,14-17,19,29H,2-10,13,18,20H2,1H3;1H