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

Systemtic Name: 6-methyl-N-methylsulfonyl-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carbohydrazide bromide Openeye Name: 6-methyl-N-methylsulfonyl-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbohydrazide bromide CAS Name: 6-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumcarbohydrazide bromide IUPAC Name: 6-methyl-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-6-methyl-pyridin-1-ium-3-carbohydrazide bromide Formula: C14H16BrN3O4S2 MolecularWeight: 434.32854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)C(=O)N(N)S(=O)(=O)C)CC(=O)C2=CC=CS2.[Br-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)C(=O)N(N)S(=O)(=O)C)CC(=O)C2=CC=CS2.[Br-]

InChI

InChI=1S/C14H16N3O4S2.BrH/c1-10-5-6-11(14(19)17(15)23(2,20)21)8-16(10)9-12(18)13-4-3-7-22-13;/h3-8H,9,15H2,1-2H3;1H/q+1;/p-1