3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-3-pyrroline-2,5-quinone Formula: C26H29N4O4+ MolecularWeight: 461.53286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CCOC)[N+]4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CCOC)[N+]4=CC(=CC(=C4)C)C

InChI

InChI=1S/C26H28N4O4/c1-5-9-20-21(25(32)30(27-20)19-10-7-6-8-11-19)22-23(28-15-17(2)14-18(3)16-28)26(33)29(24(22)31)12-13-34-4/h6-8,10-11,14-16H,5,9,12-13H2,1-4H3/p+1