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

Systemtic Name: 5-oxidanylidene-N-[(2R)-4-phenylbutan-2-yl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 5-oxo-N-[(2R)-4-phenylbutan-2-yl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 5-oxo-N-[(2R)-4-phenylbutan-2-yl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-N-[(1R)-1-methyl-3-phenyl-propyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C17H18N3O2S+ MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-12(7-8-13-5-3-2-4-6-13)19-15(21)14-11-18-17-20(16(14)22)9-10-23-17/h2-6,9-12H,7-8H2,1H3,(H,19,21)/p+1/t12-/m1/s1