4-[(2S)-2-(4-bromophenyl)-2-oxidanyl-ethyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[(2S)-2-(4-bromophenyl)-2-oxidanyl-ethyl]piperazine-1-carbaldehyde Openeye Name: 4-[(2S)-2-(4-bromophenyl)-2-hydroxy-ethyl]piperazine-1-carbaldehyde CAS Name: 4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazine-1-carbaldehyde Traditional Name: 4-[(2S)-2-(4-bromophenyl)-2-hydroxy-ethyl]piperazine-1-carbaldehyde Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C2=CC=C(C=C2)Br)O)C=O

Isomeric SMILES

C1CN(CCN1C[C@H](C2=CC=C(C=C2)Br)O)C=O

InChI

InChI=1S/C13H17BrN2O2/c14-12-3-1-11(2-4-12)13(18)9-15-5-7-16(10-17)8-6-15/h1-4,10,13,18H,5-9H2/t13-/m1/s1