(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic 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 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C24H21BrN3O3+ MolecularWeight: 479.34584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=C(CCCC3)N=C2C=C1)C(=O)OCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br

Isomeric SMILES

CC1=CC2=C(C3=C(CCCC3)N=C2C=C1)C(=O)OCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br

InChI

InChI=1S/C24H20BrN3O3/c1-14-6-8-20-18(10-14)23(17-4-2-3-5-19(17)27-20)24(30)31-13-16-11-22(29)28-12-15(25)7-9-21(28)26-16/h6-12H,2-5,13H2,1H3/p+1