methyl (2S,4S)-4-(4-bromanyl-2-chloranyl-phenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(4-bromanyl-2-chloranyl-phenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(4-bromo-2-chloro-phenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(4-bromo-2-chlorophenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(4-bromo-2-chlorophenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(4-bromo-2-chloro-phenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C12H14BrClNO3+ MolecularWeight: 335.60146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrClNO3/c1-17-12(16)10-5-8(6-15-10)18-11-3-2-7(13)4-9(11)14/h2-4,8,10,15H,5-6H2,1H3/p+1/t8-,10-/m0/s1