1-(2-chloranyl-6-fluoranyl-phenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(2-chloranyl-6-fluoranyl-phenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(2-chloro-6-fluoro-phenyl)-N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(2-chloro-6-fluorophenyl)-N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(2-chloro-6-fluorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(2-chloro-6-fluoro-benzylidene)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amine Formula: C22H22ClFN3+ MolecularWeight: 382.881583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)N=CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)/N=C\C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H21ClFN3/c23-21-9-4-10-22(24)20(21)15-25-27-13-11-26(12-14-27)16-18-7-3-6-17-5-1-2-8-19(17)18/h1-10,15H,11-14,16H2/p+1/b25-15-