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

Systemtic Name: 1-(5-bromanyl-2-fluoranyl-phenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(5-bromo-2-fluoro-phenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(5-bromo-2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(5-bromo-2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(5-bromo-2-fluoro-benzylidene)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C19H22BrFN3+ MolecularWeight: 391.300483

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrFN3/c1-15-2-4-16(5-3-15)14-23-8-10-24(11-9-23)22-13-17-12-18(20)6-7-19(17)21/h2-7,12-13H,8-11,14H2,1H3/p+1/b22-13-