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

Systemtic Name: (2S)-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]butanamide Openeye Name: (2S)-N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]butanamide CAS Name: (2S)-N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]butanamide IUPAC Name: (2S)-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]butanamide Traditional Name: (2S)-N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]butyramide Formula: C20H24F3N4O+ MolecularWeight: 393.42597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F3N4O/c1-2-17(19(28)25-16-6-4-3-5-7-16)26-10-12-27(13-11-26)18-9-8-15(14-24-18)20(21,22)23/h3-9,14,17H,2,10-13H2,1H3,(H,25,28)/p+1/t17-/m0/s1