3-[2-(3-chlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(3-chlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(4-ethyl-1-pyridin-1-iumyl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C26H28ClN4O3+ MolecularWeight: 479.97852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O3/c1-5-12-30-24(32)21(23(26(30)34)29-13-10-17(6-2)11-14-29)20-22(16(3)4)28-31(25(20)33)19-9-7-8-18(27)15-19/h7-11,13-16H,5-6,12H2,1-4H3/p+1