5-bromanyl-N-(2-methoxyethyl)-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 5-bromanyl-N-(2-methoxyethyl)-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: 5-bromo-N-(2-methoxyethyl)-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 5-bromo-N-(2-methoxyethyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 5-bromo-N-(2-methoxyethyl)-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carboxamide chloride Traditional Name: 5-bromo-1-[2-keto-2-(2-thienyl)ethyl]-N-(2-methoxyethyl)pyridin-1-ium-3-carboxamide chloride Formula: C15H16BrClN2O3S MolecularWeight: 419.72114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O3S.ClH/c1-21-5-4-17-15(20)11-7-12(16)9-18(8-11)10-13(19)14-3-2-6-22-14;/h2-3,6-9H,4-5,10H2,1H3;1H