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

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]-(4-fluorophenyl)methanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(4-fluorophenyl)methanone Traditional Name: [4-(3-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(=CC=C2)Br)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

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