4-chloranyl-2-[[(3S)-3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-chloranyl-2-[[(3S)-3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-benzyl-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-chloro-phenol CAS Name: 4-chloro-2-[[(3S)-3-(hydroxymethyl)-3-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-benzyl-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-chlorophenol Traditional Name: 2-[[(3S)-3-benzyl-3-methylol-piperidin-1-ium-1-yl]methyl]-4-chloro-phenol Formula: C20H25ClNO2+ MolecularWeight: 346.871

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)Cl)O)(CC3=CC=CC=C3)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=C(C=CC(=C2)Cl)O)(CC3=CC=CC=C3)CO

InChI

InChI=1S/C20H24ClNO2/c21-18-7-8-19(24)17(11-18)13-22-10-4-9-20(14-22,15-23)12-16-5-2-1-3-6-16/h1-3,5-8,11,23-24H,4,9-10,12-15H2/p+1/t20-/m0/s1