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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-bromobenzyl)-4-(4-fluorobenzyl)piperazin-1-ium Formula: C18H21BrFN2+ MolecularWeight: 364.275143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H20BrFN2/c19-17-3-1-2-16(12-17)14-22-10-8-21(9-11-22)13-15-4-6-18(20)7-5-15/h1-7,12H,8-11,13-14H2/p+1