4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride

Systemtic Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride Openeye Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride CAS Name: 4-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-1-(3,4,5-trimethoxyphenyl)-1-butanone chloride IUPAC Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride Traditional Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride Formula: C24H30ClF3N2O4 MolecularWeight: 502.95421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.[Cl-]

InChI

InChI=1S/C24H29F3N2O4.ClH/c1-31-21-14-17(15-22(32-2)23(21)33-3)20(30)8-5-9-28-10-12-29(13-11-28)19-7-4-6-18(16-19)24(25,26)27;/h4,6-7,14-16H,5,8-13H2,1-3H3;1H