[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone

Systemtic Name: [4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone Openeye Name: [4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone CAS Name: [4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]-(4-fluorophenyl)methanone IUPAC Name: [4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone Traditional Name: [4-(4-bromobenzyl)piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone Formula: C18H19BrFN2O+ MolecularWeight: 378.258663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrFN2O/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(20)8-4-15/h1-8H,9-13H2/p+1