(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic 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 (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H16BrN2O3+ MolecularWeight: 400.24594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C19H15BrN2O3/c1-13-2-4-14(5-3-13)6-9-19(24)25-12-16-10-18(23)22-11-15(20)7-8-17(22)21-16/h2-11H,12H2,1H3/p+1/b9-6+