(2S)-2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-tert-butyl-propanamide

Systemtic Name: (2S)-2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-tert-butyl-propanamide Openeye Name: (2S)-2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-tert-butyl-propanamide CAS Name: (2S)-2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-N-tert-butylpropanamide IUPAC Name: (2S)-2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-tert-butylpropanamide Traditional Name: (2S)-2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-N-tert-butyl-propionamide Formula: C16H21BrN3O2S+ MolecularWeight: 399.32584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)SCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br

InChI

InChI=1S/C16H20BrN3O2S/c1-10(15(22)19-16(2,3)4)23-9-12-7-14(21)20-8-11(17)5-6-13(20)18-12/h5-8,10H,9H2,1-4H3,(H,19,22)/p+1/t10-/m0/s1