methyl (2S,4S)-4-(2-bromanylphenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(2-bromanylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2-bromophenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(2-bromophenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2-bromophenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-bromophenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C12H15BrNO3+ MolecularWeight: 301.1564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC=CC=C2Br

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC=CC=C2Br

InChI

InChI=1S/C12H14BrNO3/c1-16-12(15)10-6-8(7-14-10)17-11-5-3-2-4-9(11)13/h2-5,8,10,14H,6-7H2,1H3/p+1/t8-,10-/m0/s1