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

Systemtic Name: (3-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C18H19BrFN2O+ MolecularWeight: 378.258663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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