2-methylquinolin-1-ium; 2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethanoic acid; iodide

Systemtic Name: 2-methylquinolin-1-ium; 2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethanoic acid; iodide Openeye Name: 2-methylquinolin-1-ium; 2-(4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid; iodide CAS Name: 2-methylquinolin-1-ium; 2-(4-oxo-2-sulfanylidene-3-thiazolidinyl)acetic acid; iodide IUPAC Name: 2-methylquinolin-1-ium; 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid; iodide Traditional Name: 2-(4-keto-2-thioxo-thiazolidin-3-yl)acetic acid; 2-methylquinolin-1-ium; iodide Formula: C15H15IN2O3S2 MolecularWeight: 462.32567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C=C1.C1C(=O)N(C(=S)S1)CC(=O)O.[I-]

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C=C1.C1C(=O)N(C(=S)S1)CC(=O)O.[I-]

InChI

InChI=1S/C10H9N.C5H5NO3S2.HI/c1-8-6-7-9-4-2-3-5-10(9)11-8;7-3-2-11-5(10)6(3)1-4(8)9;/h2-7H,1H3;1-2H2,(H,8,9);1H