7-[[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-[[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-[[(4E)-4-[(4-dimethylaminophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 7-[[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-2-phenyl-1-imidazolyl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-[[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 7-[[(4E)-4-[4-(dimethylamino)benzylidene]-5-keto-2-phenyl-2-imidazolin-1-yl]amino]-1-ethyl-6-fluoro-4-keto-3H-quinolin-1-ium-3-carboxylic acid Formula: C30H27FN5O4+ MolecularWeight: 540.564883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NN3C(=NC(=CC4=CC=C(C=C4)N(C)C)C3=O)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NN3C(=N/C(=C/C4=CC=C(C=C4)N(C)C)/C3=O)C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C30H26FN5O4/c1-4-35-17-22(30(39)40)27(37)21-15-23(31)24(16-26(21)35)33-36-28(19-8-6-5-7-9-19)32-25(29(36)38)14-18-10-12-20(13-11-18)34(2)3/h5-17,22H,4H2,1-3H3,(H-,33,37,39,40)/p+1/b25-14+