(1R,3S)-2-azaniumyl-5-(trifluoromethyl)adamantane-2-carboxylate

Systemtic Name: (1R,3S)-2-azaniumyl-5-(trifluoromethyl)adamantane-2-carboxylate Openeye Name: (1R,3S)-2-azaniumyl-5-(trifluoromethyl)adamantane-2-carboxylate CAS Name: (1R,3S)-2-ammonio-5-(trifluoromethyl)-2-adamantanecarboxylate IUPAC Name: (1R,3S)-2-azaniumyl-5-(trifluoromethyl)adamantane-2-carboxylate Traditional Name: (1R,3S)-2-ammonio-5-(trifluoromethyl)adamantane-2-carboxylate Formula: C12H16F3NO2 MolecularWeight: 263.25615

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(C(=O)[O-])[NH3+])C(F)(F)F

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2(C(=O)[O-])[NH3+])CC1C3)C(F)(F)F

InChI

InChI=1S/C12H16F3NO2/c13-12(14,15)10-3-6-1-7(4-10)11(16,9(17)18)8(2-6)5-10/h6-8H,1-5,16H2,(H,17,18)/t6?,7-,8+,10?,11?