(phenylmethyl) (2S)-1-buta-2,3-dienylpyrrolidin-1-ium-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-buta-2,3-dienylpyrrolidin-1-ium-2-carboxylate Openeye Name: benzyl (2S)-1-buta-2,3-dienylpyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-buta-2,3-dienyl-2-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-buta-2,3-dienylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-buta-2,3-dienylpyrrolidin-1-ium-2-carboxylic acid benzyl ester Formula: C16H20NO2+ MolecularWeight: 258.3355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C=CC[NH+]1CCCC1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C=C=CC[NH+]1CCC[C@H]1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-2-3-11-17-12-7-10-15(17)16(18)19-13-14-8-5-4-6-9-14/h3-6,8-9,15H,1,7,10-13H2/p+1/t15-/m0/s1