methyl 2-(2-ethyl-4-methyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate

Systemtic Name: methyl 2-(2-ethyl-4-methyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate Openeye Name: methyl 2-(2-ethyl-4-methyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate CAS Name: 2-(2-ethyl-4-methyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(2-ethyl-4-methyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate Traditional Name: 2-(2-ethyl-6-keto-4-methyl-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid methyl ester Formula: C21H21N2O3+ MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=C(C(=O)N1)C2=CC=CC=C2)C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=[N+](C(=C(C(=O)N1)C2=CC=CC=C2)C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H20N2O3/c1-4-18-22-20(24)19(15-10-6-5-7-11-15)14(2)23(18)17-13-9-8-12-16(17)21(25)26-3/h5-13H,4H2,1-3H3/p+1