2-[2-azanylidene-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-[2-azanylidene-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[2-imino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazolyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-1-(2-thienyl)ethanone bromide Formula: C19H23BrN4O2S MolecularWeight: 451.38052

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=CS4.[Br-]

Isomeric SMILES

C1COCC[NH+]1CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=CS4.[Br-]

InChI

InChI=1S/C19H22N4O2S.BrH/c20-19-22(8-7-21-9-11-25-12-10-21)15-4-1-2-5-16(15)23(19)14-17(24)18-6-3-13-26-18;/h1-6,13,20H,7-12,14H2;1H