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

Systemtic Name: 1-(5-bromanyl-2-fluoranyl-phenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(5-bromo-2-fluoro-phenyl)-N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(5-bromo-2-fluorophenyl)-N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(5-bromo-2-fluorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(5-bromo-2-fluoro-benzylidene)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amine Formula: C22H22BrFN3+ MolecularWeight: 427.332583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)N=CC4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)/N=C\C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C22H21BrFN3/c23-20-8-9-22(24)19(14-20)15-25-27-12-10-26(11-13-27)16-18-6-3-5-17-4-1-2-7-21(17)18/h1-9,14-15H,10-13,16H2/p+1/b25-15-