1-(5-bromanyl-2-fluoranyl-phenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(5-bromanyl-2-fluoranyl-phenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-fluoro-phenyl)methanimine CAS Name: 1-(5-bromo-2-fluorophenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-fluorophenyl)methanimine Traditional Name: (Z)-(4-benzylpiperazin-4-ium-1-yl)-(5-bromo-2-fluoro-benzylidene)amine Formula: C18H20BrFN3+ MolecularWeight: 377.273903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrFN3/c19-17-6-7-18(20)16(12-17)13-21-23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1/b21-13-