N-(3-morpholin-4-ylpropyl)-5-oxidanylidene-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-5-oxidanylidene-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(3-morpholinopropyl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-5-oxo-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-N-(3-morpholinopropyl)-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3S/c25-18(21-7-4-8-23-9-11-27-12-10-23)16-13-22-20-24(19(16)26)17(14-28-20)15-5-2-1-3-6-15/h1-3,5-6,13-14H,4,7-12H2,(H,21,25)/p+1