N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-methyl-N-[4-(methylthio)benzyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C18H18N3O2S+ MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CNC3=CC=CC=[N+]3C2=O

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CNC3=CC=CC=[N+]3C2=O

InChI

InChI=1S/C18H17N3O2S/c1-20(12-13-6-8-14(24-2)9-7-13)17(22)15-11-19-16-5-3-4-10-21(16)18(15)23/h3-11H,12H2,1-2H3/p+1