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

Systemtic Name: 2-[(2-chlorophenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2-chlorophenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2-chlorophenyl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2-chlorophenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2-chlorophenyl)thio]methyl]-9-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:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=CC=CC=C3Cl

InChI

InChI=1S/C16H13ClN2OS/c1-11-5-4-8-19-15(20)9-12(18-16(11)19)10-21-14-7-3-2-6-13(14)17/h2-9H,10H2,1H3/p+1