5-oxidanylidene-N-[(2S)-pentan-2-yl]-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: 5-oxidanylidene-N-[(2S)-pentan-2-yl]-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-[(1S)-1-methylbutyl]-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-N-[(1S)-1-methylbutyl]-3-phenyl-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:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)C1=CNC2=[N+](C1=O)C(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-3-7-12(2)20-16(22)14-10-19-18-21(17(14)23)15(11-24-18)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,20,22)/p+1/t12-/m0/s1