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

Systemtic Name: 2-[2-azanylidene-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)benzimidazol-1-yl]ethyl-diethyl-azanium bromide Openeye Name: diethyl-[2-[2-imino-3-[2-oxo-2-(2-thienyl)ethyl]benzimidazol-1-yl]ethyl]ammonium bromide CAS Name: diethyl-[2-[2-imino-3-(2-oxo-2-thiophen-2-ylethyl)-1-benzimidazolyl]ethyl]ammonium bromide IUPAC Name: diethyl-[2-[2-imino-3-(2-oxo-2-thiophen-2-ylethyl)benzimidazol-1-yl]ethyl]azanium bromide Traditional Name: diethyl-[2-[2-imino-3-[2-keto-2-(2-thienyl)ethyl]benzimidazol-1-yl]ethyl]ammonium bromide Formula: C19H25BrN4OS MolecularWeight: 437.397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CS3.[Br-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CS3.[Br-]

InChI

InChI=1S/C19H24N4OS.BrH/c1-3-21(4-2)11-12-22-15-8-5-6-9-16(15)23(19(22)20)14-17(24)18-10-7-13-25-18;/h5-10,13,20H,3-4,11-12,14H2,1-2H3;1H