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

Systemtic Name: N-(2-methoxyphenyl)-3-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]propanamide Openeye Name: N-(2-methoxyphenyl)-3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]propanamide CAS Name: N-(2-methoxyphenyl)-3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]propanamide IUPAC Name: N-(2-methoxyphenyl)-3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]propanamide Traditional Name: 3-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-N-(2-methoxyphenyl)propionamide Formula: C20H22N3O3S+ MolecularWeight: 384.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCCC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCCC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C20H21N3O3S/c1-14-7-8-18-21-15(11-20(25)23(18)12-14)13-27-10-9-19(24)22-16-5-3-4-6-17(16)26-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,24)/p+1