[2-[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]carbonylhydrazinyl] propanoate bromide

Systemtic Name: [2-[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]carbonylhydrazinyl] propanoate bromide Openeye Name: [2-[1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbonyl]hydrazino] propanoate bromide CAS Name: propanoic acid [[oxo-[1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumyl]methyl]hydrazo] ester bromide IUPAC Name: [2-[1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbonyl]hydrazinyl] propanoate bromide Traditional Name: propionic acid [N'-[1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbonyl]hydrazino] ester bromide Formula: C15H16BrN3O4S MolecularWeight: 414.27424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S.BrH/c1-2-14(20)22-17-16-15(21)11-5-3-7-18(9-11)10-12(19)13-6-4-8-23-13;/h3-9,17H,2,10H2,1H3;1H