1-[(4-ethoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(4-ethoxybenzyl)-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C21H26F3N2O+ MolecularWeight: 379.43915

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H25F3N2O/c1-2-27-19-9-7-17(8-10-19)15-25-11-13-26(14-12-25)16-18-5-3-4-6-20(18)21(22,23)24/h3-10H,2,11-16H2,1H3/p+1