(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic 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 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H25BrN3O4+ MolecularWeight: 475.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br

InChI

InChI=1S/C22H24BrN3O4/c23-16-1-2-18-25-17(6-19(27)26(18)11-16)12-30-20(28)10-24-21(29)22-7-13-3-14(8-22)5-15(4-13)9-22/h1-2,6,11,13-15H,3-5,7-10,12H2,(H,24,29)/p+1