(2S,3S,4R,5R)-2,5-dimethyl-1-(phenylmethyl)pyrrolidin-1-ium-3,4-diol

Systemtic Name: (2S,3S,4R,5R)-2,5-dimethyl-1-(phenylmethyl)pyrrolidin-1-ium-3,4-diol Openeye Name: (2S,3S,4R,5R)-1-benzyl-2,5-dimethyl-pyrrolidin-1-ium-3,4-diol CAS Name: (2S,3S,4R,5R)-2,5-dimethyl-1-(phenylmethyl)pyrrolidin-1-ium-3,4-diol IUPAC Name: (2S,3S,4R,5R)-1-benzyl-2,5-dimethylpyrrolidin-1-ium-3,4-diol Traditional Name: (2S,3S,4R,5R)-1-benzyl-2,5-dimethyl-pyrrolidin-1-ium-3,4-diol Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C([NH+]1CC2=CC=CC=C2)C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-9-12(15)13(16)10(2)14(9)8-11-6-4-3-5-7-11/h3-7,9-10,12-13,15-16H,8H2,1-2H3/p+1/t9-,10+,12-,13+