2-[2-azanylidene-3-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]benzimidazol-1-yl]ethyl-diethyl-azanium bromide

Systemtic Name: 2-[2-azanylidene-3-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]benzimidazol-1-yl]ethyl-diethyl-azanium bromide Openeye Name: 2-[3-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium bromide CAS Name: 2-[3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-2-imino-1-benzimidazolyl]ethyl-diethylammonium bromide IUPAC Name: 2-[3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium bromide Traditional Name: 2-[3-[2-(3,4-dichlorophenyl)-2-keto-ethyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium bromide Formula: C21H25BrCl2N4O MolecularWeight: 500.2594

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

InChI

InChI=1S/C21H24Cl2N4O.BrH/c1-3-25(4-2)11-12-26-18-7-5-6-8-19(18)27(21(26)24)14-20(28)15-9-10-16(22)17(23)13-15;/h5-10,13,24H,3-4,11-12,14H2,1-2H3;1H