N-aminocarbonyl-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-aminocarbonyl-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-carbamoyl-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-carbamoyl-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-carbamoyl-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-carbamoyl-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propionamide Formula: C14H18ClF3N5O2+ MolecularWeight: 380.77323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC(=O)N)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC(=O)N)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H17ClF3N5O2/c15-10-7-9(14(16,17)18)8-20-12(10)23-5-3-22(4-6-23)2-1-11(24)21-13(19)25/h7-8H,1-6H2,(H3,19,21,24,25)/p+1