3-(3-ethylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propyl-pyrrole-2,5-dione

Systemtic Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-(3-ethyl-1-pyridin-1-iumyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C26H29N4O3+ MolecularWeight: 445.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-4-11-20-21(25(32)30(27-20)19-13-8-7-9-14-19)22-23(26(33)29(15-5-2)24(22)31)28-16-10-12-18(6-3)17-28/h7-10,12-14,16-17H,4-6,11,15H2,1-3H3/p+1