3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(m-tolyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(3-methylphenyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-1-(m-tolyl)-3-pyrroline-2,5-quinone Formula: C30H29N4O3+ MolecularWeight: 493.57626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC(=C4)C)[N+]5=CC(=CC(=C5)C)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC(=C4)C)[N+]5=CC(=CC(=C5)C)C

InChI

InChI=1S/C30H28N4O3/c1-5-10-24-25(29(36)34(31-24)22-12-7-6-8-13-22)26-27(32-17-20(3)15-21(4)18-32)30(37)33(28(26)35)23-14-9-11-19(2)16-23/h6-9,11-18H,5,10H2,1-4H3/p+1