2-[2-(3,5-dimethylphenoxy)ethylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[2-(3,5-dimethylphenoxy)ethylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[2-(3,5-dimethylphenoxy)ethylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23N2O2S+ MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCCOC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCCOC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C20H22N2O2S/c1-14-4-5-19-21-17(11-20(23)22(19)12-14)13-25-7-6-24-18-9-15(2)8-16(3)10-18/h4-5,8-12H,6-7,13H2,1-3H3/p+1