1-[3-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3R)-3-(hydroxymethyl)-3-phenethyl-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3R)-3-(hydroxymethyl)-3-phenethylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3R)-3-methylol-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C23H30NO2+ MolecularWeight: 352.4898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO2/c1-19(26)22-10-5-9-21(15-22)16-24-14-6-12-23(17-24,18-25)13-11-20-7-3-2-4-8-20/h2-5,7-10,15,25H,6,11-14,16-18H2,1H3/p+1/t23-/m0/s1