(phenylmethyl) (2S)-1-but-3-enylpyrrolidin-1-ium-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-but-3-enylpyrrolidin-1-ium-2-carboxylate Openeye Name: benzyl (2S)-1-but-3-enylpyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-but-3-enyl-2-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-but-3-enylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-but-3-enylpyrrolidin-1-ium-2-carboxylic acid benzyl ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-2-3-11-17-12-7-10-15(17)16(18)19-13-14-8-5-4-6-9-14/h2,4-6,8-9,15H,1,3,7,10-13H2/p+1/t15-/m0/s1