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

Systemtic Name: 3-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-[(1S)-1-phenylethyl]propanamide Openeye Name: 3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-[(1S)-1-phenylethyl]propanamide CAS Name: 3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-N-[(1S)-1-phenylethyl]propanamide IUPAC Name: 3-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-N-[(1S)-1-phenylethyl]propanamide Traditional Name: 3-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-N-[(1S)-1-phenylethyl]propionamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCCC(=O)N[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-15-8-9-19-23-18(12-21(26)24(19)13-15)14-27-11-10-20(25)22-16(2)17-6-4-3-5-7-17/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1