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

Systemtic Name: 6-(azepan-1-ylcarbonyl)-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 6-(azepane-1-carbonyl)-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 6-[1-azepanyl(oxo)methyl]-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 6-(azepane-1-carbonyl)-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 6-(azepane-1-carbonyl)-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O2S/c23-17(21-10-6-1-2-7-11-21)15-12-20-19-22(18(15)24)16(13-25-19)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2/p+1