1-[4-[[4-(hydroxymethyl)-4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[4-(hydroxymethyl)-4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[4-benzyl-4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[4-(hydroxymethyl)-4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[4-benzyl-4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[(4-benzyl-4-methylol-piperidin-1-ium-1-yl)methyl]-2-thienyl]ethanone Formula: C20H26NO2S+ MolecularWeight: 344.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO

InChI

InChI=1S/C20H25NO2S/c1-16(23)19-11-18(14-24-19)13-21-9-7-20(15-22,8-10-21)12-17-5-3-2-4-6-17/h2-6,11,14,22H,7-10,12-13,15H2,1H3/p+1