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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-acetamido-3-(1H-indol-3-yl)propanoic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-acetamido-3-(1H-indol-3-yl)propionic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H20BrN4O4+ MolecularWeight: 484.3226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C22H19BrN4O4/c1-13(28)25-19(8-14-10-24-18-5-3-2-4-17(14)18)22(30)31-12-16-9-21(29)27-11-15(23)6-7-20(27)26-16/h2-7,9-11,19,24H,8,12H2,1H3,(H,25,28)/p+1/t19-/m1/s1