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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)N[C@H](C)CCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-12(8-9-14-6-4-3-5-7-14)20-16(22)15-10-19-18-21(17(15)23)13(2)11-24-18/h3-7,10-12H,8-9H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1