ethyl 2-[4-[2-azanyl-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[2-azanyl-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[2-amino-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C15H21F3N3O2+ MolecularWeight: 332.34135

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C15H20F3N3O2/c1-2-23-14(22)10-20-5-7-21(8-6-20)13-4-3-11(9-12(13)19)15(16,17)18/h3-4,9H,2,5-8,10,19H2,1H3/p+1