(4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrol-2-olate

Systemtic Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrol-2-olate Openeye Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: (4E)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-1-(2-oxolanylmethyl)-2-pyrrololate IUPAC Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxo-1-(oxolan-2-ylmethyl)pyrrol-2-olate Traditional Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C26H26N4O4 MolecularWeight: 458.50904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)CC5CCCO5)[O-])C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)CC5CCCO5)[O-])C

InChI

InChI=1S/C26H26N4O4/c1-16-12-17(2)14-28(13-16)23-22(24(31)29(26(23)33)15-20-10-7-11-34-20)21-18(3)27-30(25(21)32)19-8-5-4-6-9-19/h4-6,8-9,12-14,20H,7,10-11,15H2,1-3H3