1-[(2-bromanyl-6-fluoranyl-phenyl)methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(2-bromanyl-6-fluoranyl-phenyl)methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(2-bromo-6-fluoro-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-bromo-6-fluorophenyl)methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(2-bromo-6-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-(2-bromo-6-fluoro-benzyl)piperazin-4-ium Formula: C18H21BrFN2+ MolecularWeight: 364.275143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Br)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Br)F)CC3=CC=CC=C3

InChI

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