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

Systemtic Name: 5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(4-hydroxy-3-methoxy-phenyl)methylene]-3-(piperidin-1-ium-1-ylmethyl)thiazolidine-2,4-dione CAS Name: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(1-piperidin-1-iumylmethyl)thiazolidine-2,4-dione IUPAC Name: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2,4-dione Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)-5-vanillylidene-thiazolidine-2,4-quinone Formula: C17H21N2O4S+ MolecularWeight: 349.42464

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-23-14-9-12(5-6-13(14)20)10-15-16(21)19(17(22)24-15)11-18-7-3-2-4-8-18/h5-6,9-10,20H,2-4,7-8,11H2,1H3/p+1