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

Systemtic Name: propan-2-yl (2S,3R)-2-(3-bromophenyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: isopropyl (2S,3R)-2-(3-bromophenyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3R)-2-(3-bromophenyl)-3-pyrrolidin-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S,3R)-2-(3-bromophenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3R)-2-(3-bromophenyl)pyrrolidin-1-ium-3-carboxylic acid isopropyl ester Formula: C14H19BrNO2+ MolecularWeight: 313.21016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO2/c1-9(2)18-14(17)12-6-7-16-13(12)10-4-3-5-11(15)8-10/h3-5,8-9,12-13,16H,6-7H2,1-2H3/p+1/t12-,13-/m1/s1