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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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