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

Systemtic Name: N-methylsulfonyl-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carbohydrazide bromide Openeye Name: N-methylsulfonyl-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbohydrazide bromide CAS Name: N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumcarbohydrazide bromide IUPAC Name: N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbohydrazide bromide Traditional Name: 1-[2-keto-2-(2-thienyl)ethyl]-N-mesyl-pyridin-1-ium-3-carbohydrazide bromide Formula: C13H14BrN3O4S2 MolecularWeight: 420.30196

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=CS2)N.[Br-]

Isomeric SMILES

CS(=O)(=O)N(C(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=CS2)N.[Br-]

InChI

InChI=1S/C13H14N3O4S2.BrH/c1-22(19,20)16(14)13(18)10-4-2-6-15(8-10)9-11(17)12-5-3-7-21-12;/h2-8H,9,14H2,1H3;1H/q+1;/p-1