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

Systemtic Name: (2S)-N-aminocarbonyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-carbamoyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-carbamoyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-carbamoyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-carbamoyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propionamide Formula: C14H19F3N5O2+ MolecularWeight: 346.32817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)[NH+]1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC(=O)N)[NH+]1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H18F3N5O2/c1-9(12(23)20-13(18)24)21-4-6-22(7-5-21)11-3-2-10(8-19-11)14(15,16)17/h2-3,8-9H,4-7H2,1H3,(H3,18,20,23,24)/p+1/t9-/m0/s1