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

Systemtic Name: [1-[(3-methylsulfanylphenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [4-benzyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[[3-(methylthio)phenyl]methyl]-4-(phenylmethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [4-benzyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-benzyl-1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]methanol Formula: C21H28NOS+ MolecularWeight: 342.51812

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO

InChI

InChI=1S/C21H27NOS/c1-24-20-9-5-8-19(14-20)16-22-12-10-21(17-23,11-13-22)15-18-6-3-2-4-7-18/h2-9,14,23H,10-13,15-17H2,1H3/p+1