2-[(4-chlorophenyl)methylsulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-chlorophenyl)methylthio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-chlorobenzyl)thio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H16ClN2OS+ MolecularWeight: 331.83974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2OS/c1-12-3-2-4-16-19-15(9-17(21)20(12)16)11-22-10-13-5-7-14(18)8-6-13/h2-9H,10-11H2,1H3/p+1