[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCCC(C2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC[C@@](C2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C20H27N3O2S/c1-26-19-21-12-17(13-22-19)14-23-10-5-8-20(15-23,16-24)9-11-25-18-6-3-2-4-7-18/h2-4,6-7,12-13,24H,5,8-11,14-16H2,1H3/p+1/t20-/m0/s1