N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: 4-oxo-N-[2-(p-tolylmethylsulfanyl)ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-[2-[(4-methylbenzyl)thio]ethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-14-5-7-15(8-6-14)13-25-11-9-20-18(23)16-12-21-17-4-2-3-10-22(17)19(16)24/h2-8,10,12H,9,11,13H2,1H3,(H,20,23)/p+1