methyl (1R,2S)-1-(phenylmethyl)-1-prop-2-enyl-pyrrolidin-1-ium-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[N+]1(CC=C)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CCC[N@@+]1(CC=C)CC2=CC=CC=C2

InChI

InChI=1S/C16H22NO2/c1-3-11-17(13-14-8-5-4-6-9-14)12-7-10-15(17)16(18)19-2/h3-6,8-9,15H,1,7,10-13H2,2H3/q+1/t15-,17-/m0/s1