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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CCOC)[N+]4=CC=CC(=C4)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CCOC)[N+]4=CC=CC(=C4)C

InChI

InChI=1S/C24H24N4O4/c1-4-18-19(23(30)28(25-18)17-10-6-5-7-11-17)20-21(26-12-8-9-16(2)15-26)24(31)27(22(20)29)13-14-32-3/h5-12,15H,4,13-14H2,1-3H3/p+1