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

Systemtic Name: 6-methyl-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 6-methyl-2-(p-tolylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 6-methyl-2-[[(4-methylphenyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 6-methyl-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 6-methyl-2-[(p-tolylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H17N2OS+ MolecularWeight: 297.39468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)[N+]3=C(C=CC=C3N2)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)[N+]3=C(C=CC=C3N2)C

InChI

InChI=1S/C17H16N2OS/c1-12-6-8-15(9-7-12)21-11-14-10-17(20)19-13(2)4-3-5-16(19)18-14/h3-10H,11H2,1-2H3/p+1