(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid (4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H20BrN2O5+ MolecularWeight: 448.2872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=C(C=C3)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=C(C=C3)C)Br)OC

InChI

InChI=1S/C20H19BrN2O5/c1-4-27-16-9-13(8-15(21)19(16)26-3)20(25)28-11-14-10-18(24)23-6-5-12(2)7-17(23)22-14/h5-10H,4,11H2,1-3H3/p+1