(1S)-2-(azocan-1-ium-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-[4-(trifluoromethyl)phenyl]ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]amine Formula: C16H24F3N2+ MolecularWeight: 301.37037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(C2=CC=C(C=C2)C(F)(F)F)N

Isomeric SMILES

C1CCC[NH+](CCC1)C[C@H](C2=CC=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C16H23F3N2/c17-16(18,19)14-8-6-13(7-9-14)15(20)12-21-10-4-2-1-3-5-11-21/h6-9,15H,1-5,10-12,20H2/p+1/t15-/m1/s1