4-[2,5-dimethyl-3-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[2,5-dimethyl-3-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)C[N+]4=CC=CC(=C4)O

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)C[N+]4=CC=CC(=C4)O

InChI

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