N-[4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3R)-3-(hydroxymethyl)-3-phenethylpiperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3R)-3-methylol-3-phenethyl-piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@@](C2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C23H30N2O2/c1-19(27)24-22-10-8-21(9-11-22)16-25-15-5-13-23(17-25,18-26)14-12-20-6-3-2-4-7-20/h2-4,6-11,26H,5,12-18H2,1H3,(H,24,27)/p+1/t23-/m0/s1