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

Systemtic Name: N-(2,6-diethylphenyl)-3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(2,6-diethylphenyl)-3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(2,6-diethylphenyl)-3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(2,6-diethylphenyl)-3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-(2,6-diethylphenyl)-5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C

InChI

InChI=1S/C18H19N3O2S/c1-4-12-7-6-8-13(5-2)15(12)20-16(22)14-9-19-18-21(17(14)23)11(3)10-24-18/h6-10H,4-5H2,1-3H3,(H,20,22)/p+1