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

Systemtic Name: methyl 2-(2,4-diethyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate Openeye Name: methyl 2-(2,4-diethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate CAS Name: 2-(2,4-diethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(2,4-diethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate Traditional Name: 2-(2,4-diethyl-6-keto-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid methyl ester Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NC(=[N+]1C2=CC=CC=C2C(=O)OC)CC)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=O)NC(=[N+]1C2=CC=CC=C2C(=O)OC)CC)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-4-17-20(15-11-7-6-8-12-15)21(25)23-19(5-2)24(17)18-14-10-9-13-16(18)22(26)27-3/h6-14H,4-5H2,1-3H3/p+1