2-[(5E)-4-oxidanylidene-5-[(4-piperidin-1-ium-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[(5E)-4-oxidanylidene-5-[(4-piperidin-1-ium-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-4-oxo-5-[(4-piperidin-1-ium-1-ylphenyl)methylene]-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-4-oxo-5-[[4-(1-piperidin-1-iumyl)phenyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-4-oxo-5-[(4-piperidin-1-ium-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-4-keto-5-(4-piperidin-1-ium-1-ylbenzylidene)-2-thioxo-thiazolidin-3-yl]acetate Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)C2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)[O-]

InChI

InChI=1S/C17H18N2O3S2/c20-15(21)11-19-16(22)14(24-17(19)23)10-12-4-6-13(7-5-12)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2,(H,20,21)/b14-10+