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

Systemtic Name: 1-(2-chloranyl-6-fluoranyl-phenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(2-chloro-6-fluoro-phenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(2-chloro-6-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(2-chloro-6-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (E)-(2-chloro-6-fluoro-benzylidene)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C19H22ClFN3+ MolecularWeight: 346.849483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)N=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)/N=C/C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H21ClFN3/c1-15-5-7-16(8-6-15)14-23-9-11-24(12-10-23)22-13-17-18(20)3-2-4-19(17)21/h2-8,13H,9-12,14H2,1H3/p+1/b22-13+