3-(pyrrolidin-1-ylmethoxy)benzenecarboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-(pyrrolidin-1-ylmethoxy)benzenecarboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-(pyrrolidin-1-ylmethoxy)benzamidine; 2,2,2-trifluoroacetic acid CAS Name: 3-(1-pyrrolidinylmethoxy)benzenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 3-(pyrrolidin-1-ylmethoxy)benzenecarboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 3-(pyrrolidinomethoxy)benzamidine; 2,2,2-trifluoroacetic acid Formula: C16H19F6N3O5 MolecularWeight: 447.329579

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)COC2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCN(C1)COC2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C12H17N3O.2C2HF3O2/c13-12(14)10-4-3-5-11(8-10)16-9-15-6-1-2-7-15;2*3-2(4,5)1(6)7/h3-5,8H,1-2,6-7,9H2,(H3,13,14);2*(H,6,7)