2-[(4-fluorophenyl)methylsulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-fluorophenyl)methylthio]methyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-fluorobenzyl)thio]methyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H16FN2OS+ MolecularWeight: 315.385143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)CSCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)CSCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN2OS/c1-12-6-7-20-16(8-12)19-15(9-17(20)21)11-22-10-13-2-4-14(18)5-3-13/h2-9H,10-11H2,1H3/p+1