2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C20H22F3N4O4+ MolecularWeight: 439.40829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O4/c21-20(22,23)14-2-1-3-15(12-14)24-19(29)17-13-16(27(30)31)4-5-18(17)26-8-6-25(7-9-26)10-11-28/h1-5,12-13,28H,6-11H2,(H,24,29)/p+1