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

Systemtic Name: 3-[2-(4-chlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-[2-(4-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3,4-dimethyl-1-pyridin-1-iumyl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-[2-(4-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-[1-(4-chlorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-(3,4-dimethylpyridin-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O3/c1-5-7-20-21(25(33)31(28-20)19-10-8-18(27)9-11-19)22-23(26(34)30(13-6-2)24(22)32)29-14-12-16(3)17(4)15-29/h8-12,14-15H,5-7,13H2,1-4H3/p+1