2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-N-(3,4-dimethylphenyl)acetamide Formula: C19H19BrN3O2S+ MolecularWeight: 433.34206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C

InChI

InChI=1S/C19H18BrN3O2S/c1-12-3-5-15(7-13(12)2)22-18(24)11-26-10-16-8-19(25)23-9-14(20)4-6-17(23)21-16/h3-9H,10-11H2,1-2H3,(H,22,24)/p+1