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

Systemtic Name: N-(2-hydroxyethyl)-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-(2-hydroxyethyl)-1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: N-(2-hydroxyethyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyethyl)-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carboxamide Traditional Name: N-(2-hydroxyethyl)-1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-3-carboxamide Formula: C14H15N2O3S+ MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3S/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/p+1