3-[N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-2H-pyrrol-4-yl)-C-methyl-carbonimidoyl]-1-ethyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-2H-pyrrol-4-yl)-C-methyl-carbonimidoyl]-1-ethyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[N-(1,5-dimethyl-3-oxo-2-phenyl-2H-pyrrol-4-yl)-C-methyl-carbonimidoyl]-1-ethyl-2-hydroxy-3H-quinolin-1-ium-4-one CAS Name: 3-[1-[(1,5-dimethyl-3-oxo-2-phenyl-2H-pyrrol-4-yl)imino]ethyl]-1-ethyl-2-hydroxy-3H-quinolin-1-ium-4-one IUPAC Name: 3-[N-(1,5-dimethyl-3-oxo-2-phenyl-2H-pyrrol-4-yl)-C-methylcarbonimidoyl]-1-ethyl-2-hydroxy-3H-quinolin-1-ium-4-one Traditional Name: 1-ethyl-2-hydroxy-3-[N-(4-keto-1,2-dimethyl-5-phenyl-2-pyrrolin-3-yl)-C-methyl-carbonimidoyl]-3H-quinolin-1-ium-4-one Formula: C25H26N3O3+ MolecularWeight: 416.49224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=NC3=C(N(C(C3=O)C4=CC=CC=C4)C)C)C)O

Isomeric SMILES

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=NC3=C(N(C(C3=O)C4=CC=CC=C4)C)C)C)O

InChI

InChI=1S/C25H25N3O3/c1-5-28-19-14-10-9-13-18(19)23(29)20(25(28)31)15(2)26-21-16(3)27(4)22(24(21)30)17-11-7-6-8-12-17/h6-14,20,22H,5H2,1-4H3/p+1