(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H15ClN3O3+ MolecularWeight: 392.8151

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=CC(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)/C=C/C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl)N=CC=C2

InChI

InChI=1S/C21H14ClN3O3/c22-16-7-8-18-24-17(11-19(26)25(18)12-16)13-28-20(27)9-6-15-4-1-3-14-5-2-10-23-21(14)15/h1-12H,13H2/p+1/b9-6+