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

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

CCCCC1=CC=C(C=C1)NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C

InChI

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