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

Systemtic Name: N-cyclopropyl-2-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C22H25F3N5O2+ MolecularWeight: 448.46141

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H24F3N5O2/c23-22(24,25)15-5-8-19(26-13-15)30-11-9-29(10-12-30)14-20(31)28-18-4-2-1-3-17(18)21(32)27-16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,32)(H,28,31)/p+1