4-[3,4-bis(chloranyl)phenoxy]piperidin-1-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-[3,4-bis(chloranyl)phenoxy]piperidin-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-(3,4-dichlorophenoxy)piperidin-1-ium; 2,2,2-trifluoroacetate CAS Name: 4-(3,4-dichlorophenoxy)piperidin-1-ium; 2,2,2-trifluoroacetate IUPAC Name: 4-(3,4-dichlorophenoxy)piperidin-1-ium; 2,2,2-trifluoroacetate Traditional Name: 4-(3,4-dichlorophenoxy)piperidin-1-ium; 2,2,2-trifluoroacetate Formula: C13H14Cl2F3NO3 MolecularWeight: 360.15637

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1OC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1C[NH2+]CCC1OC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C11H13Cl2NO.C2HF3O2/c12-10-2-1-9(7-11(10)13)15-8-3-5-14-6-4-8;3-2(4,5)1(6)7/h1-2,7-8,14H,3-6H2;(H,6,7)