(2R)-N-cyclopropyl-2-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2R)-N-cyclopropyl-2-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-N-cyclopropyl-2-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-N-cyclopropyl-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-N-cyclopropyl-2-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: (2R)-N-cyclopropyl-2-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C21H25F3N4O+2 MolecularWeight: 406.44461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N4O/c22-21(23,24)16-6-9-18(25-14-16)27-10-12-28(13-11-27)19(15-4-2-1-3-5-15)20(29)26-17-7-8-17/h1-6,9,14,17,19H,7-8,10-13H2,(H,26,29)/p+2/t19-/m1/s1