4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide Openeye Name: 4-(5-chloro-2-thienyl)-N-(3-hydroxypyridin-1-ium-2-yl)-4-oxo-butanamide CAS Name: 4-(5-chloro-2-thiophenyl)-N-(3-hydroxy-2-pyridin-1-iumyl)-4-oxobutanamide IUPAC Name: 4-(5-chlorothiophen-2-yl)-N-(3-hydroxypyridin-1-ium-2-yl)-4-oxobutanamide Traditional Name: 4-(5-chloro-2-thienyl)-N-(3-hydroxypyridin-1-ium-2-yl)-4-keto-butyramide Formula: C13H12ClN2O3S+ MolecularWeight: 311.76398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NC(=O)CCC(=O)C2=CC=C(S2)Cl)O

Isomeric SMILES

C1=CC(=C([NH+]=C1)NC(=O)CCC(=O)C2=CC=C(S2)Cl)O

InChI

InChI=1S/C13H11ClN2O3S/c14-11-5-4-10(20-11)8(17)3-6-12(19)16-13-9(18)2-1-7-15-13/h1-2,4-5,7,18H,3,6H2,(H,15,16,19)/p+1