1,5-dimethyl-2-phenyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-triphenyl-1-pyridin-1-iumyl)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)-3-pyrazolin-3-one Formula: C34H28N3O+ MolecularWeight: 494.60562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H28N3O/c1-25-33(34(38)37(35(25)2)30-21-13-6-14-22-30)36-31(27-17-9-4-10-18-27)23-29(26-15-7-3-8-16-26)24-32(36)28-19-11-5-12-20-28/h3-24H,1-2H3/q+1