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

Systemtic Name: N,N-diethyl-3-(4-methylphenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N,N-diethyl-5-oxo-3-(p-tolyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N,N-diethyl-3-(4-methylphenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N,N-diethyl-3-(4-methylphenyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N,N-diethyl-5-keto-3-(p-tolyl)-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:

CCN(CC)C(=O)C1=CNC2=[N+](C1=O)C(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C(=O)C1=CNC2=[N+](C1=O)C(=CS2)C3=CC=C(C=C3)C

InChI

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