(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic 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-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C24H22N3O4S+ MolecularWeight: 448.51418

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(S2)C(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=C(C=C(S2)C(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O4S/c28-22-14-18(25-21-8-4-5-9-27(21)22)16-31-24(29)20-15-19(17-6-2-1-3-7-17)23(32-20)26-10-12-30-13-11-26/h1-9,14-15H,10-13,16H2/p+1