[4-[(4-methoxyphenyl)methyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [4-[(4-methoxyphenyl)methyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [4-[(4-methoxyphenyl)methyl]-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[[2-(methylthio)pyrimidin-5-yl]methyl]-4-p-anisyl-piperidin-1-ium-4-yl]methanol Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2(CC[NH+](CC2)CC3=CN=C(N=C3)SC)CO

Isomeric SMILES

COC1=CC=C(C=C1)CC2(CC[NH+](CC2)CC3=CN=C(N=C3)SC)CO

InChI

InChI=1S/C20H27N3O2S/c1-25-18-5-3-16(4-6-18)11-20(15-24)7-9-23(10-8-20)14-17-12-21-19(26-2)22-13-17/h3-6,12-13,24H,7-11,14-15H2,1-2H3/p+1