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

Systemtic Name: 1-(5-bromanyl-2-fluoranyl-phenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(5-bromo-2-fluoro-phenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: 1-(5-bromo-2-fluorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(5-bromo-2-fluorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(5-bromo-2-fluoro-benzylidene)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C20H24BrFN3+ MolecularWeight: 405.327063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)N=CC3=C(C=CC(=C3)Br)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)/N=C\C3=C(C=CC(=C3)Br)F)C

InChI

InChI=1S/C20H23BrFN3/c1-15-3-4-17(16(2)11-15)14-24-7-9-25(10-8-24)23-13-18-12-19(21)5-6-20(18)22/h3-6,11-13H,7-10,14H2,1-2H3/p+1/b23-13-