N,N-diethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]aniline

Systemtic Name: N,N-diethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]aniline Openeye Name: N,N-diethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]aniline CAS Name: N,N-diethyl-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: N,N-diethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]aniline Traditional Name: diethyl-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenyl]amine Formula: C22H29F3N3+ MolecularWeight: 392.48097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28F3N3/c1-3-27(4-2)20-10-8-18(9-11-20)17-26-12-14-28(15-13-26)21-7-5-6-19(16-21)22(23,24)25/h5-11,16H,3-4,12-15,17H2,1-2H3/p+1