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

Systemtic Name: 7-methyl-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S/c1-15(2)20-7-6-19(11-17(20)4)26-9-10-27-14-18-12-22(25)24-13-16(3)5-8-21(24)23-18/h5-8,11-13,15H,9-10,14H2,1-4H3/p+1