tert-butyl 1-azanyl-4-[4-(trifluoromethyl)phenyl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-azanyl-4-[4-(trifluoromethyl)phenyl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-amino-4-[4-(trifluoromethyl)phenyl]piperidin-1-ium-1-carboxylate CAS Name: 1-amino-4-[4-(trifluoromethyl)phenyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-amino-4-[4-(trifluoromethyl)phenyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-amino-4-[4-(trifluoromethyl)phenyl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H24F3N2O2+ MolecularWeight: 345.37987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C2=CC=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C2=CC=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C17H24F3N2O2/c1-16(2,3)24-15(23)22(21)10-8-13(9-11-22)12-4-6-14(7-5-12)17(18,19)20/h4-7,13H,8-11,21H2,1-3H3/q+1