N-propyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-propyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-propyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: 2-[[1-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]ethyl]amino]-N-propylacetamide IUPAC Name: N-propyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-propyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C18H26F3N4O2+ MolecularWeight: 387.41985

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCCNC(=O)CNC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H25F3N4O2/c1-2-6-22-16(26)12-23-17(27)13-24-7-9-25(10-8-24)15-5-3-4-14(11-15)18(19,20)21/h3-5,11H,2,6-10,12-13H2,1H3,(H,22,26)(H,23,27)/p+1