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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H14BrNO3/c1-16-12(15)11-6-10(7-14-11)17-9-4-2-8(13)3-5-9/h2-5,10-11,14H,6-7H2,1H3/p+1/t10-,11-/m0/s1