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

Systemtic Name: 8-methyl-N-[(3-methylsulfanylphenyl)methyl]-4-oxidanylidene-N-propan-2-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-isopropyl-8-methyl-N-[(3-methylsulfanylphenyl)methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: 8-methyl-N-[[3-(methylthio)phenyl]methyl]-4-oxo-N-propan-2-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: 8-methyl-N-[(3-methylsulfanylphenyl)methyl]-4-oxo-N-propan-2-yl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-isopropyl-4-keto-8-methyl-N-[3-(methylthio)benzyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C(=CN2)C(=O)N(CC3=CC(=CC=C3)SC)C(C)C

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C(=CN2)C(=O)N(CC3=CC(=CC=C3)SC)C(C)C

InChI

InChI=1S/C21H23N3O2S/c1-14(2)24(13-16-6-5-7-17(11-16)27-4)21(26)18-12-22-19-10-15(3)8-9-23(19)20(18)25/h5-12,14H,13H2,1-4H3/p+1