[(3R)-3-[(3-methoxyphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-3-[(3-methoxyphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-3-[(3-methoxyphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-3-[(3-methoxyphenyl)methyl]-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-3-[(3-methoxyphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-3-m-anisyl-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]methanol Formula: C22H30NO2S+ MolecularWeight: 372.5441

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCC[NH+](C2)CC3=CC=C(C=C3)SC)CO

Isomeric SMILES

COC1=CC=CC(=C1)C[C@@]2(CCC[NH+](C2)CC3=CC=C(C=C3)SC)CO

InChI

InChI=1S/C22H29NO2S/c1-25-20-6-3-5-19(13-20)14-22(17-24)11-4-12-23(16-22)15-18-7-9-21(26-2)10-8-18/h3,5-10,13,24H,4,11-12,14-17H2,1-2H3/p+1/t22-/m1/s1