N-cyclopentyl-2-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopentyl-2-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopentyl-2-[[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopentyl-2-[[1-oxo-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopentyl-2-[[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopentyl-2-[[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C24H30F3N5O2+2 MolecularWeight: 477.52251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H28F3N5O2/c25-24(26,27)17-9-10-21(28-15-17)32-13-11-31(12-14-32)16-22(33)30-20-8-4-3-7-19(20)23(34)29-18-5-1-2-6-18/h3-4,7-10,15,18H,1-2,5-6,11-14,16H2,(H,29,34)(H,30,33)/p+2