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

Systemtic Name: (2R)-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propionamide Formula: C19H23F3N4O+2 MolecularWeight: 380.40733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O/c1-14(18(27)24-16-5-3-2-4-6-16)25-9-11-26(12-10-25)17-8-7-15(13-23-17)19(20,21)22/h2-8,13-14H,9-12H2,1H3,(H,24,27)/p+2/t14-/m1/s1