1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-N'-(phenylcarbonyl)pyridin-1-ium-3-carbohydrazide bromide

Systemtic Name: 1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-N'-(phenylcarbonyl)pyridin-1-ium-3-carbohydrazide bromide Openeye Name: N'-benzoyl-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbohydrazide bromide CAS Name: N'-benzoyl-1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumcarbohydrazide bromide IUPAC Name: N'-benzoyl-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbohydrazide bromide Traditional Name: N'-benzoyl-1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbohydrazide bromide Formula: C19H16BrN3O3S MolecularWeight: 446.31764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CS3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CS3.[Br-]

InChI

InChI=1S/C19H15N3O3S.BrH/c23-16(17-9-5-11-26-17)13-22-10-4-8-15(12-22)19(25)21-20-18(24)14-6-2-1-3-7-14;/h1-12H,13H2,(H-,20,21,24,25);1H