1-oxidanidyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]pyridin-1-ium-3-carboxamide Formula: C16H11F3N2O2 MolecularWeight: 320.26595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C#CCNC(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C#CCNC(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C16H11F3N2O2/c17-16(18,19)14-7-1-4-12(10-14)5-2-8-20-15(22)13-6-3-9-21(23)11-13/h1,3-4,6-7,9-11H,8H2,(H,20,22)