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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-3-phenyl-N-piperonyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C21H16N3O4S+ MolecularWeight: 406.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CNC4=[N+](C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CNC4=[N+](C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H15N3O4S/c25-19(22-9-13-6-7-17-18(8-13)28-12-27-17)15-10-23-21-24(20(15)26)16(11-29-21)14-4-2-1-3-5-14/h1-8,10-11H,9,12H2,(H,22,25)/p+1