4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(3R)-3-(hydroxymethyl)-3-phenethyl-1-piperidin-1-iumyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(3R)-3-(hydroxymethyl)-3-phenethylpiperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[(3R)-3-methylol-3-phenethyl-piperidin-1-ium-1-yl]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCCC(C3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCC[C@@](C3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C26H33N3O2/c1-21-24(25(31)29(27(21)2)23-12-7-4-8-13-23)18-28-17-9-15-26(19-28,20-30)16-14-22-10-5-3-6-11-22/h3-8,10-13,30H,9,14-20H2,1-2H3/p+1/t26-/m0/s1