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

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2R)-2-(phenylmethoxycarbonylamino)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 (2R)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)propionic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H22N3O5+ MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C(C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)[C@@H](C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-14-8-9-18-23-17(10-19(25)24(18)11-14)13-28-20(26)15(2)22-21(27)29-12-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,22,27)/p+1/t15-/m1/s1