N-(2-hydroxyethyl)-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: N-(2-hydroxyethyl)-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: N-(2-hydroxyethyl)-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: N-(2-hydroxyethyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(2-hydroxyethyl)-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carboxamide bromide Traditional Name: N-(2-hydroxyethyl)-1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3S.BrH/c17-7-5-15-14(19)11-3-1-6-16(9-11)10-12(18)13-4-2-8-20-13;/h1-4,6,8-9,17H,5,7,10H2;1H