2-[2-azanylidene-3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]benzimidazol-1-yl]ethyl-diethyl-azanium bromide

Systemtic Name: 2-[2-azanylidene-3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]benzimidazol-1-yl]ethyl-diethyl-azanium bromide Openeye Name: 2-[3-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium bromide CAS Name: 2-[3-[2-(5-bromo-2-thiophenyl)-2-oxoethyl]-2-imino-1-benzimidazolyl]ethyl-diethylammonium bromide IUPAC Name: 2-[3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium bromide Traditional Name: 2-[3-[2-(5-bromo-2-thienyl)-2-keto-ethyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium bromide Formula: C19H24Br2N4OS MolecularWeight: 516.29306

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(S3)Br.[Br-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(S3)Br.[Br-]

InChI

InChI=1S/C19H23BrN4OS.BrH/c1-3-22(4-2)11-12-23-14-7-5-6-8-15(14)24(19(23)21)13-16(25)17-9-10-18(20)26-17;/h5-10,21H,3-4,11-13H2,1-2H3;1H