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

Systemtic Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: (2R)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C19H23F3N4O+2 MolecularWeight: 380.40733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(F)(F)F)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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