2-[(4-chlorophenyl)methylsulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-chlorophenyl)methylthio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-chlorobenzyl)thio]methyl]-9-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=C2NC(=CC(=O)[N+]2=CC=C1)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSCC3=CC=C(C=C3)Cl

InChI

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