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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)-1-propan-2-yl-pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isopropyl-4-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)-1-propan-2-ylpyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)-1-propan-2-ylpyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isopropyl-4-(3-isopropyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-15(2)22-20(25(32)30(27-22)19-10-8-7-9-11-19)21-23(26(33)29(16(3)4)24(21)31)28-13-17(5)12-18(6)14-28/h7-16H,1-6H3/p+1