[N'-[(1R,3R)-2,2-dimethyl-3-phenyl-cyclopropyl]carbonylcarbamimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [N'-[(1R,3R)-2,2-dimethyl-3-phenyl-cyclopropyl]carbonylcarbamimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [N'-[(1R,3R)-2,2-dimethyl-3-phenyl-cyclopropanecarbonyl]carbamimidoyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [amino-[[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-oxomethyl]iminomethyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [N'-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]carbamimidoyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [N'-[(1R,3R)-2,2-dimethyl-3-phenyl-cyclopropanecarbonyl]amidino]ammonium; 2,2,2-trifluoroacetate Formula: C15H18F3N3O3 MolecularWeight: 345.31693

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)N=C([NH3+])N)C2=CC=CC=C2)C.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1([C@@H]([C@H]1C(=O)N=C([NH3+])N)C2=CC=CC=C2)C.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C13H17N3O.C2HF3O2/c1-13(2)9(8-6-4-3-5-7-8)10(13)11(17)16-12(14)15;3-2(4,5)1(6)7/h3-7,9-10H,1-2H3,(H4,14,15,16,17);(H,6,7)/t9-,10+;/m1./s1