2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-N-[3-(trifluoromethyl)phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide Traditional Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide Formula: C19H23F3N4O2+2 MolecularWeight: 396.40673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O2/c20-19(21,22)14-3-1-4-15(13-14)24-18(28)16-5-2-6-23-17(16)26-9-7-25(8-10-26)11-12-27/h1-6,13,27H,7-12H2,(H,24,28)/p+2