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

Systemtic Name: (2S,3S,4R,5R)-2-ethenyl-5-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3,4-diol Openeye Name: (2R,3R,4S,5S)-1-benzyl-2-methyl-5-vinyl-pyrrolidin-1-ium-3,4-diol CAS Name: (2S,3S,4R,5R)-2-ethenyl-5-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3,4-diol IUPAC Name: (2S,3S,4R,5R)-1-benzyl-2-ethenyl-5-methylpyrrolidin-1-ium-3,4-diol Traditional Name: (2R,3R,4S,5S)-1-benzyl-2-methyl-5-vinyl-pyrrolidin-1-ium-3,4-diol Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-3-12-14(17)13(16)10(2)15(12)9-11-7-5-4-6-8-11/h3-8,10,12-14,16-17H,1,9H2,2H3/p+1/t10-,12+,13-,14+/m1/s1