(2-bromophenyl)-[4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-bromophenyl)-[4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-bromophenyl)-[4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-bromophenyl)-[4-[(2S)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-bromophenyl)-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-bromophenyl)-[4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]methanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=CC=C2)O)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H23BrN2O3/c21-19-9-5-4-8-18(19)20(25)23-12-10-22(11-13-23)14-16(24)15-26-17-6-2-1-3-7-17/h1-9,16,24H,10-15H2/p+1/t16-/m0/s1