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

Systemtic Name: N-phenyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-phenyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-phenyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-phenyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-phenyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propionamide Formula: C19H22F3N4O+ MolecularWeight: 379.39939

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O/c20-19(21,22)15-6-7-17(23-14-15)26-12-10-25(11-13-26)9-8-18(27)24-16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,24,27)/p+1