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1-[(4-hexoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

1-[(4-hexoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name:1-[(4-hexoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
Openeye Name:1-[(4-hexoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CAS Name:1-[(4-hexoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
IUPAC Name:1-[(4-hexoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
Traditional Name:1-(4-hexoxybenzyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
Formula: C24H32F3N2O+
MolecularWeight: 421.51889
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F


Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F


InChI

InChI=1S/C24H31F3N2O/c1-2-3-4-5-17-30-23-11-9-20(10-12-23)19-28-13-15-29(16-14-28)22-8-6-7-21(18-22)24(25,26)27/h6-12,18H,2-5,13-17,19H2,1H3/p+1


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