(5Z)-5-[(1-butylpyridin-1-ium-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-oxazolidine-3-carboxylic acid

Systemtic Name: (5Z)-5-[(1-butylpyridin-1-ium-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-oxazolidine-3-carboxylic acid Openeye Name: (5Z)-5-[(1-butylpyridin-1-ium-2-yl)methylene]-4-oxo-2-thioxo-oxazolidine-3-carboxylic acid CAS Name: (5Z)-5-[(1-butyl-2-pyridin-1-iumyl)methylidene]-4-oxo-2-sulfanylidene-3-oxazolidinecarboxylic acid IUPAC Name: (5Z)-5-[(1-butylpyridin-1-ium-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-oxazolidine-3-carboxylic acid Traditional Name: (5Z)-5-[(1-butylpyridin-1-ium-2-yl)methylene]-4-keto-2-thioxo-oxazolidine-3-carboxylic acid Formula: C14H15N2O4S+ MolecularWeight: 307.3449

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC=C1C=C2C(=O)N(C(=S)O2)C(=O)O

Isomeric SMILES

CCCC[N+]1=CC=CC=C1/C=C\2/C(=O)N(C(=S)O2)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-2-3-7-15-8-5-4-6-10(15)9-11-12(17)16(13(18)19)14(21)20-11/h4-6,8-9H,2-3,7H2,1H3/p+1/b11-9-