6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C22H18N3O2S+ MolecularWeight: 388.46222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CNC4=[N+](C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CNC4=[N+](C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H17N3O2S/c26-20(24-11-10-15-6-4-5-9-17(15)13-24)18-12-23-22-25(21(18)27)19(14-28-22)16-7-2-1-3-8-16/h1-9,12,14H,10-11,13H2/p+1