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

Systemtic Name: (2R)-N-methyl-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-methyl-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-methyl-N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-methyl-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-methyl-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]propionamide Formula: C20H25F3N4O+2 MolecularWeight: 394.43391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F3N4O/c1-15(19(28)25(2)17-6-4-3-5-7-17)26-10-12-27(13-11-26)18-9-8-16(14-24-18)20(21,22)23/h3-9,14-15H,10-13H2,1-2H3/p+2/t15-/m1/s1