1-[(S)-pyridin-4-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium

Systemtic Name: 1-[(S)-pyridin-4-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Openeye Name: 1-[(S)-4-pyridyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium CAS Name: 1-[(S)-pyridin-4-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-[(S)-pyridin-4-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Traditional Name: 1-[(S)-4-pyridyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Formula: C17H20F3N3+2 MolecularWeight: 323.35601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=NC=C3

Isomeric SMILES

C1C[NH+](CC[NH2+]1)[C@@H](C2=CC=C(C=C2)C(F)(F)F)C3=CC=NC=C3

InChI

InChI=1S/C17H18F3N3/c18-17(19,20)15-3-1-13(2-4-15)16(14-5-7-21-8-6-14)23-11-9-22-10-12-23/h1-8,16,22H,9-12H2/p+2/t16-/m0/s1