2-(2-azanyl-3-hexadecyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-hexadecyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Openeye Name: 2-(2-amino-3-hexadecyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide CAS Name: 2-(2-amino-3-hexadecyl-1-benzimidazol-1-iumyl)-1-(3,4-dichlorophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-hexadecylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Traditional Name: 2-(2-amino-3-cetyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Formula: C31H44BrCl2N3O MolecularWeight: 625.51056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

InChI

InChI=1S/C31H43Cl2N3O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-35-28-18-15-16-19-29(28)36(31(35)34)24-30(37)25-20-21-26(32)27(33)23-25;/h15-16,18-21,23,34H,2-14,17,22,24H2,1H3;1H