(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(4-ethanoylphenoxy)propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(4-ethanoylphenoxy)propanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(4-acetylphenoxy)propanoate CAS Name: (2S)-2-(4-acetylphenoxy)propanoic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(4-acetylphenoxy)propanoate Traditional Name: (2S)-2-(4-acetylphenoxy)propionic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H21N2O5+ MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C(C)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)[C@H](C)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H20N2O5/c1-13-4-9-19-22-17(10-20(25)23(19)11-13)12-27-21(26)15(3)28-18-7-5-16(6-8-18)14(2)24/h4-11,15H,12H2,1-3H3/p+1/t15-/m0/s1