N'-(4-methoxyphenyl)sulfonyl-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carbohydrazide bromide

Systemtic Name: N'-(4-methoxyphenyl)sulfonyl-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carbohydrazide bromide Openeye Name: N'-(4-methoxyphenyl)sulfonyl-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbohydrazide bromide CAS Name: N'-(4-methoxyphenyl)sulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumcarbohydrazide bromide IUPAC Name: N'-(4-methoxyphenyl)sulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbohydrazide bromide Traditional Name: 1-[2-keto-2-(2-thienyl)ethyl]-N'-(4-methoxyphenyl)sulfonyl-pyridin-1-ium-3-carbohydrazide bromide Formula: C19H18BrN3O5S2 MolecularWeight: 512.39732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CS3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CS3.[Br-]

InChI

InChI=1S/C19H17N3O5S2.BrH/c1-27-15-6-8-16(9-7-15)29(25,26)21-20-19(24)14-4-2-10-22(12-14)13-17(23)18-5-3-11-28-18;/h2-12,21H,13H2,1H3;1H