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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-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-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)acrylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C23H24BrN2O5+ MolecularWeight: 488.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)OCC

InChI

InChI=1S/C23H23BrN2O5/c1-3-11-30-19-8-5-16(12-20(19)29-4-2)6-10-23(28)31-15-18-13-22(27)26-14-17(24)7-9-21(26)25-18/h5-10,12-14H,3-4,11,15H2,1-2H3/p+1/b10-6+