propan-2-yl (2S,3R)-2-phenylpyrrolidin-1-ium-3-carboxylate

Systemtic Name: propan-2-yl (2S,3R)-2-phenylpyrrolidin-1-ium-3-carboxylate Openeye Name: isopropyl (2S,3R)-2-phenylpyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3R)-2-phenyl-3-pyrrolidin-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S,3R)-2-phenylpyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3R)-2-phenylpyrrolidin-1-ium-3-carboxylic acid isopropyl ester Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC[NH2+]C1C2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)[C@@H]1CC[NH2+][C@@H]1C2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c1-10(2)17-14(16)12-8-9-15-13(12)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3/p+1/t12-,13-/m1/s1