7-[[cyclopentyl(morpholin-4-yl)methylidene]amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-[[cyclopentyl(morpholin-4-yl)methylidene]amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-[[cyclopentyl(morpholino)methylene]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 7-[[cyclopentyl(4-morpholinyl)methylidene]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-[[cyclopentyl(morpholin-4-yl)methylidene]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 7-[[cyclopentyl(morpholino)methylene]amino]-1-ethyl-6-fluoro-4-keto-3H-quinolin-1-ium-3-carboxylic acid Formula: C22H27FN3O4+ MolecularWeight: 416.465883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)N=C(C3CCCC3)N4CCOCC4)F)C(=O)O

Isomeric SMILES

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)N=C(C3CCCC3)N4CCOCC4)F)C(=O)O

InChI

InChI=1S/C22H26FN3O4/c1-2-25-13-16(22(28)29)20(27)15-11-17(23)18(12-19(15)25)24-21(14-5-3-4-6-14)26-7-9-30-10-8-26/h11-14,16H,2-10H2,1H3/p+1