3-[2-(2,3-dimethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(2,3-dimethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-[2-(2,3-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-[2-(2,3-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3,5-dimethyl-1-pyridin-1-iumyl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-[2-(2,3-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-[1-(2,3-dimethylphenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2C)C)C3=C(C(=O)N(C3=O)CCC)[N+]4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2C)C)C3=C(C(=O)N(C3=O)CCC)[N+]4=CC(=CC(=C4)C)C

InChI

InChI=1S/C28H32N4O3/c1-7-10-21-23(27(34)32(29-21)22-12-9-11-19(5)20(22)6)24-25(28(35)31(13-8-2)26(24)33)30-15-17(3)14-18(4)16-30/h9,11-12,14-16H,7-8,10,13H2,1-6H3/p+1