1-oxidanyl-3-(6-phenethylpyrimidin-4-yl)-1-phenyl-2H-pyrrol-1-ium-5-one

Systemtic Name: 1-oxidanyl-3-(6-phenethylpyrimidin-4-yl)-1-phenyl-2H-pyrrol-1-ium-5-one Openeye Name: 1-hydroxy-3-(6-phenethylpyrimidin-4-yl)-1-phenyl-2H-pyrrol-1-ium-5-one CAS Name: 1-hydroxy-3-(6-phenethyl-4-pyrimidinyl)-1-phenyl-2H-pyrrol-1-ium-5-one IUPAC Name: 1-hydroxy-3-(6-phenethylpyrimidin-4-yl)-1-phenyl-2H-pyrrol-1-ium-5-one Traditional Name: 1-hydroxy-4-(6-phenethylpyrimidin-4-yl)-1-phenyl-3-pyrrolin-1-ium-2-one Formula: C22H20N3O2+ MolecularWeight: 358.4131

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=O)[N+]1(C2=CC=CC=C2)O)C3=CC(=NC=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1C(=CC(=O)[N+]1(C2=CC=CC=C2)O)C3=CC(=NC=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H20N3O2/c26-22-13-18(15-25(22,27)20-9-5-2-6-10-20)21-14-19(23-16-24-21)12-11-17-7-3-1-4-8-17/h1-10,13-14,16,27H,11-12,15H2/q+1