1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C22H28F3N2O2+ MolecularWeight: 409.46513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N2O2/c1-3-29-21-14-17(8-9-20(21)28-2)15-26-10-12-27(13-11-26)16-18-6-4-5-7-19(18)22(23,24)25/h4-9,14H,3,10-13,15-16H2,1-2H3/p+1