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

Systemtic Name: 1-(2-methoxyethyl)-3-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-(2-methoxyethyl)-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-(2-methoxyethyl)-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(2-methoxyethyl)-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-1-(2-methoxyethyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C24H25N4O4+ MolecularWeight: 433.4797

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)CCOC)[N+]4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O4/c1-3-10-18-19(23(30)28(25-18)17-11-6-4-7-12-17)20-21(26-13-8-5-9-14-26)24(31)27(22(20)29)15-16-32-2/h4-9,11-14H,3,10,15-16H2,1-2H3/p+1