[4-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone

Systemtic Name: [4-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Openeye Name: [4-[(5-bromo-2-hydroxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone CAS Name: [4-[(5-bromo-2-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-chlorophenyl)methanone IUPAC Name: [4-[(5-bromo-2-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Traditional Name: [4-(5-bromo-2-hydroxy-benzyl)piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Formula: C18H19BrClN2O2+ MolecularWeight: 410.71266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18BrClN2O2/c19-15-4-5-17(23)14(10-15)12-21-6-8-22(9-7-21)18(24)13-2-1-3-16(20)11-13/h1-5,10-11,23H,6-9,12H2/p+1