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

Systemtic Name: 3-[2-(2,4-dimethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(4-methyl-1-pyridin-1-iumyl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-[1-(2,4-dimethylphenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3/c1-6-8-20-22(26(33)31(28-20)21-10-9-18(4)16-19(21)5)23-24(29-14-11-17(3)12-15-29)27(34)30(13-7-2)25(23)32/h9-12,14-16H,6-8,13H2,1-5H3/p+1