(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)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-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C23H23N4O4+ MolecularWeight: 419.45312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C

InChI

InChI=1S/C23H22N4O4/c1-14-7-8-21-26-17(10-22(29)27(21)12-14)13-31-23(30)20(25-15(2)28)9-16-11-24-19-6-4-3-5-18(16)19/h3-8,10-12,20,24H,9,13H2,1-2H3,(H,25,28)/p+1/t20-/m0/s1