2-[(2-ethoxyphenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(2-ethoxyphenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2-ethoxyphenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2-ethoxyphenyl)methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2-ethoxyphenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2-ethoxybenzyl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H21N2O2S+ MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CSCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1CSCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)C

InChI

InChI=1S/C19H20N2O2S/c1-3-23-17-7-5-4-6-15(17)12-24-13-16-10-19(22)21-11-14(2)8-9-18(21)20-16/h4-11H,3,12-13H2,1-2H3/p+1