(2R)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propionamide Formula: C13H19F3N4O+2 MolecularWeight: 304.31137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)N)[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H17F3N4O/c1-9(12(17)21)19-4-6-20(7-5-19)11-3-2-10(8-18-11)13(14,15)16/h2-3,8-9H,4-7H2,1H3,(H2,17,21)/p+2/t9-/m1/s1