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

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C18H17ClN3O2S+ MolecularWeight: 374.86448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC=C(C2=O)C(=O)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC=C(C2=O)C(=O)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c19-14-6-4-13(5-7-14)12-25-10-8-20-17(23)15-11-21-16-3-1-2-9-22(16)18(15)24/h1-7,9,11H,8,10,12H2,(H,20,23)/p+1