N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-fluorophenyl)methanimine

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-fluorophenyl)methanimine Openeye Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-fluorophenyl)methanimine CAS Name: N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-1-(4-fluorophenyl)methanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-fluorophenyl)methanimine Traditional Name: (Z)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-(4-fluorobenzylidene)amine Formula: C20H25FN3+ MolecularWeight: 326.431003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3/c1-16-3-6-19(17(2)13-16)15-23-9-11-24(12-10-23)22-14-18-4-7-20(21)8-5-18/h3-8,13-14H,9-12,15H2,1-2H3/p+1/b22-14-