7-[[3-chloranyl-2-(4-dimethylaminophenyl)-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-dimethylaminophenyl)-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-dimethylaminophenyl)-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-dimethylaminophenyl)-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-dimethylaminophenyl)-4-oxoazetidin-1-yl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 7-[[3-chloro-2-(4-dimethylaminophenyl)-4-keto-azetidin-1-yl]amino]-1-ethyl-6-fluoro-4-keto-3H-quinolin-1-ium-3-carboxylic acid Formula: C23H23ClFN4O4+ MolecularWeight: 473.904523

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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)N(C)C)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)N(C)C)F)C(=O)O

InChI

InChI=1S/C23H22ClFN4O4/c1-4-28-11-15(23(32)33)21(30)14-9-16(25)17(10-18(14)28)26-29-20(19(24)22(29)31)12-5-7-13(8-6-12)27(2)3/h5-11,15,19-20H,4H2,1-3H3,(H-,26,30,32,33)/p+1