1-[(2R)-4-phenylbutan-2-yl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(2R)-4-phenylbutan-2-yl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(1R)-1-methyl-3-phenyl-propyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(2R)-4-phenylbutan-2-yl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(2R)-4-phenylbutan-2-yl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-[(1R)-1-methyl-3-phenyl-propyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C21H26F3N2+ MolecularWeight: 363.43975

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N2/c1-17(10-11-18-6-3-2-4-7-18)25-12-14-26(15-13-25)20-9-5-8-19(16-20)21(22,23)24/h2-9,16-17H,10-15H2,1H3/p+1/t17-/m1/s1