1-ethyl-4-oxidanylidene-7-(2-pyridin-1-ium-4-yl-1,3-thiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-4-oxidanylidene-7-(2-pyridin-1-ium-4-yl-1,3-thiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-4-oxo-7-(2-pyridin-1-ium-4-ylthiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-4-oxo-7-[2-(4-pyridin-1-iumyl)-4-thiazolyl]-1H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 1-ethyl-4-oxo-7-(2-pyridin-1-ium-4-yl-1,3-thiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-(2-pyridin-1-ium-4-ylthiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid Formula: C20H17N3O3S+2 MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=[NH+]C=C4)C(=O)O

Isomeric SMILES

CC[NH+]1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=[NH+]C=C4)C(=O)O

InChI

InChI=1S/C20H15N3O3S/c1-2-23-10-15(20(25)26)18(24)14-4-3-13(9-17(14)23)16-11-27-19(22-16)12-5-7-21-8-6-12/h3-11H,2H2,1H3,(H,25,26)/p+2