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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C(C)C)C3=C(NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C(C)C)C3=C(NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C

InChI

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