(3R,4S,5R)-5-methyl-1-(phenylmethyl)piperidin-1-ium-3,4-diol chloride

Systemtic Name: (3R,4S,5R)-5-methyl-1-(phenylmethyl)piperidin-1-ium-3,4-diol chloride Openeye Name: (3R,4S,5R)-1-benzyl-5-methyl-piperidin-1-ium-3,4-diol chloride CAS Name: (3R,4S,5R)-5-methyl-1-(phenylmethyl)piperidin-1-ium-3,4-diol chloride IUPAC Name: (3R,4S,5R)-1-benzyl-5-methylpiperidin-1-ium-3,4-diol chloride Traditional Name: (3R,4S,5R)-1-benzyl-5-methyl-piperidin-1-ium-3,4-diol chloride Formula: C13H20ClNO2 MolecularWeight: 257.7564

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(C1O)O)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H]([C@H]1O)O)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H19NO2.ClH/c1-10-7-14(9-12(15)13(10)16)8-11-5-3-2-4-6-11;/h2-6,10,12-13,15-16H,7-9H2,1H3;1H/t10-,12-,13+;/m1./s1