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

Systemtic Name: 3-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propyl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propyl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-1-propyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C24H25N4O3+ MolecularWeight: 417.4803

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

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

InChI

InChI=1S/C24H24N4O3/c1-3-11-18-19(23(30)28(25-18)17-12-7-5-8-13-17)20-21(26-15-9-6-10-16-26)24(31)27(14-4-2)22(20)29/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3/p+1