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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C1=O)[N+]2=CC(=C(C=C2)C)C)C3=C(NN(C3=O)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CCCN1C(=O)C(=C(C1=O)[N+]2=CC(=C(C=C2)C)C)C3=C(NN(C3=O)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C26H28N4O3/c1-6-13-29-24(31)21(23(26(29)33)28-14-12-17(4)18(5)15-28)20-22(16(2)3)27-30(25(20)32)19-10-8-7-9-11-19/h7-12,14-16H,6,13H2,1-5H3/p+1