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

Systemtic Name: 1-ethyl-4-oxidanylidene-7-(2-piperidin-1-ium-1-yl-1,3-thiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-4-oxo-7-(2-piperidin-1-ium-1-ylthiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-4-oxo-7-[2-(1-piperidin-1-iumyl)-4-thiazolyl]-1H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 1-ethyl-4-oxo-7-(2-piperidin-1-ium-1-yl-1,3-thiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-(2-piperidin-1-ium-1-ylthiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid Formula: C20H23N3O3S+2 MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)[NH+]4CCCCC4)C(=O)O

Isomeric SMILES

CC[NH+]1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)[NH+]4CCCCC4)C(=O)O

InChI

InChI=1S/C20H21N3O3S/c1-2-22-11-15(19(25)26)18(24)14-7-6-13(10-17(14)22)16-12-27-20(21-16)23-8-4-3-5-9-23/h6-7,10-12H,2-5,8-9H2,1H3,(H,25,26)/p+2