(5E)-5-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]-3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Systemtic Name: (5E)-5-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]-3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-5-[(4-allyloxy-3-methoxy-phenyl)methylene]-3-(piperidin-1-ium-1-ylmethyl)thiazolidine-2,4-dione CAS Name: (5E)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-3-(1-piperidin-1-iumylmethyl)thiazolidine-2,4-dione IUPAC Name: (5E)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-5-(4-allyloxy-3-methoxy-benzylidene)-3-(piperidin-1-ium-1-ylmethyl)thiazolidine-2,4-quinone Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)C[NH+]3CCCCC3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)C[NH+]3CCCCC3)OCC=C

InChI

InChI=1S/C20H24N2O4S/c1-3-11-26-16-8-7-15(12-17(16)25-2)13-18-19(23)22(20(24)27-18)14-21-9-5-4-6-10-21/h3,7-8,12-13H,1,4-6,9-11,14H2,2H3/p+1/b18-13+