1-[4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3R)-3-(hydroxymethyl)-3-phenethylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3R)-3-methylol-3-phenethyl-piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C21H28NO2S+ MolecularWeight: 358.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@](C2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C21H27NO2S/c1-17(24)20-12-19(14-25-20)13-22-11-5-9-21(15-22,16-23)10-8-18-6-3-2-4-7-18/h2-4,6-7,12,14,23H,5,8-11,13,15-16H2,1H3/p+1/t21-/m0/s1