(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl tetralin-6-carboxylate CAS Name: 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate Traditional Name: tetralin-6-carboxylic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H19N2O3+ MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C20H18N2O3/c23-19-12-17(21-18-7-3-4-10-22(18)19)13-25-20(24)16-9-8-14-5-1-2-6-15(14)11-16/h3-4,7-12H,1-2,5-6,13H2/p+1