N-(5-chloranyl-2-methoxy-phenyl)-3-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]propionamide Formula: C20H21ClN3O3S+ MolecularWeight: 418.91704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H20ClN3O3S/c1-13-3-6-18-22-15(10-20(26)24(18)11-13)12-28-8-7-19(25)23-16-9-14(21)4-5-17(16)27-2/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,25)/p+1