N-(2-cyanophenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-cyanophenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2-cyanophenyl)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-cyanophenyl)-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-cyanophenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-cyanophenyl)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propionamide Formula: C20H21F3N5O+ MolecularWeight: 404.40885

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C#N)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C#N)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O/c21-20(22,23)16-5-6-18(25-14-16)28-11-9-27(10-12-28)8-7-19(29)26-17-4-2-1-3-15(17)13-24/h1-6,14H,7-12H2,(H,26,29)/p+1