4-(3-propylphenoxy)piperidin-1-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-(3-propylphenoxy)piperidin-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-(3-propylphenoxy)piperidin-1-ium; 2,2,2-trifluoroacetate CAS Name: 4-(3-propylphenoxy)piperidin-1-ium; 2,2,2-trifluoroacetate IUPAC Name: 4-(3-propylphenoxy)piperidin-1-ium; 2,2,2-trifluoroacetate Traditional Name: 4-(3-propylphenoxy)piperidin-1-ium; 2,2,2-trifluoroacetate Formula: C16H22F3NO3 MolecularWeight: 333.34599

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)OC2CC[NH2+]CC2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCC1=CC(=CC=C1)OC2CC[NH2+]CC2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C14H21NO.C2HF3O2/c1-2-4-12-5-3-6-14(11-12)16-13-7-9-15-10-8-13;3-2(4,5)1(6)7/h3,5-6,11,13,15H,2,4,7-10H2,1H3;(H,6,7)