2-[(3-chlorophenyl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(3-chlorophenyl)methylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(3-chlorobenzyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H14ClN2OS+ MolecularWeight: 317.81316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=CC2=O)CSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=CC2=O)CSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H13ClN2OS/c17-13-5-3-4-12(8-13)10-21-11-14-9-16(20)19-7-2-1-6-15(19)18-14/h1-9H,10-11H2/p+1