methyl (2S,5S,6S)-1-[(2R)-3-azido-2-oxidanyl-propyl]-6-(4-bromophenyl)-5-methyl-piperidine-2-carboxylate

Systemtic Name: methyl (2S,5S,6S)-1-[(2R)-3-azido-2-oxidanyl-propyl]-6-(4-bromophenyl)-5-methyl-piperidine-2-carboxylate Openeye Name: methyl (2S,5S,6S)-1-[(2R)-3-azido-2-hydroxy-propyl]-6-(4-bromophenyl)-5-methyl-piperidine-2-carboxylate CAS Name: (2S,5S,6S)-1-[(2R)-3-azido-2-hydroxypropyl]-6-(4-bromophenyl)-5-methyl-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,5S,6S)-1-[(2R)-3-azido-2-hydroxypropyl]-6-(4-bromophenyl)-5-methylpiperidine-2-carboxylate Traditional Name: (2S,5S,6S)-1-[(2R)-3-azido-2-hydroxy-propyl]-6-(4-bromophenyl)-5-methyl-pipecolinic acid methyl ester Formula: C17H23BrN4O3 MolecularWeight: 411.29352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(C1C2=CC=C(C=C2)Br)CC(CN=[N+]=[N-])O)C(=O)OC

Isomeric SMILES

C[C@H]1CC[C@H](N([C@@H]1C2=CC=C(C=C2)Br)C[C@H](CN=[N+]=[N-])O)C(=O)OC

InChI

InChI=1S/C17H23BrN4O3/c1-11-3-8-15(17(24)25-2)22(10-14(23)9-20-21-19)16(11)12-4-6-13(18)7-5-12/h4-7,11,14-16,23H,3,8-10H2,1-2H3/t11-,14-,15-,16-/m0/s1