(2S)-2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-tert-butyl-propanamide

Systemtic Name: (2S)-2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-tert-butyl-propanamide Openeye Name: (2S)-2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-tert-butyl-propanamide CAS Name: (2S)-2-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-tert-butylpropanamide IUPAC Name: (2S)-2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-tert-butylpropanamide Traditional Name: (2S)-2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-tert-butyl-propionamide Formula: C24H32F2N3O+ MolecularWeight: 416.527186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)[NH+]1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H31F2N3O/c1-17(23(30)27-24(2,3)4)28-13-15-29(16-14-28)22(18-5-9-20(25)10-6-18)19-7-11-21(26)12-8-19/h5-12,17,22H,13-16H2,1-4H3,(H,27,30)/p+1/t17-/m0/s1