7-[[3-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-[[3-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-[[3-chloro-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 7-[[3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-[[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 7-[[3-chloro-2-keto-4-(4-methoxyphenyl)azetidin-1-yl]amino]-1-ethyl-6-fluoro-4-keto-3H-quinolin-1-ium-3-carboxylic acid Formula: C22H20ClFN3O5+ MolecularWeight: 460.862703

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NN3C(C(C3=O)Cl)C4=CC=C(C=C4)OC)F)C(=O)O

Isomeric SMILES

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NN3C(C(C3=O)Cl)C4=CC=C(C=C4)OC)F)C(=O)O

InChI

InChI=1S/C22H19ClFN3O5/c1-3-26-10-14(22(30)31)20(28)13-8-15(24)16(9-17(13)26)25-27-19(18(23)21(27)29)11-4-6-12(32-2)7-5-11/h4-10,14,18-19H,3H2,1-2H3,(H-,25,28,30,31)/p+1