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

Systemtic Name: (4-bromophenyl)-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (4-bromophenyl)-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-4-ium-1-yl]methanone chloride CAS Name: (4-bromophenyl)-[4-(2-hydroxy-3-phenoxypropyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (4-bromophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-4-ium-1-yl]methanone chloride Traditional Name: (4-bromophenyl)-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-4-ium-1-yl]methanone chloride Formula: C20H24BrClN2O3 MolecularWeight: 455.77316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Br.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Br.[Cl-]

InChI

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