(2E)-2-[(4-dimethylaminophenyl)methylidene]-1-(2-oxidanyl-4-oxidanylidene-1-phenyl-3H-quinolin-1-ium-3-yl)butane-1,3-dione

Systemtic Name: (2E)-2-[(4-dimethylaminophenyl)methylidene]-1-(2-oxidanyl-4-oxidanylidene-1-phenyl-3H-quinolin-1-ium-3-yl)butane-1,3-dione Openeye Name: (2E)-2-[(4-dimethylaminophenyl)methylene]-1-(2-hydroxy-4-oxo-1-phenyl-3H-quinolin-1-ium-3-yl)butane-1,3-dione CAS Name: (2E)-2-[(4-dimethylaminophenyl)methylidene]-1-(2-hydroxy-4-oxo-1-phenyl-3H-quinolin-1-ium-3-yl)butane-1,3-dione IUPAC Name: (2E)-2-[(4-dimethylaminophenyl)methylidene]-1-(2-hydroxy-4-oxo-1-phenyl-3H-quinolin-1-ium-3-yl)butane-1,3-dione Traditional Name: (2E)-2-[4-(dimethylamino)benzylidene]-1-(2-hydroxy-4-keto-1-phenyl-3H-quinolin-1-ium-3-yl)butane-1,3-dione Formula: C28H25N2O4+ MolecularWeight: 453.5091

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=C(C=C1)N(C)C)C(=O)C2C(=O)C3=CC=CC=C3[N+](=C2O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)/C(=C\C1=CC=C(C=C1)N(C)C)/C(=O)C2C(=O)C3=CC=CC=C3[N+](=C2O)C4=CC=CC=C4

InChI

InChI=1S/C28H24N2O4/c1-18(31)23(17-19-13-15-20(16-14-19)29(2)3)27(33)25-26(32)22-11-7-8-12-24(22)30(28(25)34)21-9-5-4-6-10-21/h4-17,25H,1-3H3/p+1/b23-17+