tert-butyl N-methyl-N-[1-[5-(trifluoromethyl)pyridin-3-yl]pyrrolidin-1-ium-1-yl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[1-[5-(trifluoromethyl)pyridin-3-yl]pyrrolidin-1-ium-1-yl]carbamate Openeye Name: tert-butyl N-methyl-N-[1-[5-(trifluoromethyl)-3-pyridyl]pyrrolidin-1-ium-1-yl]carbamate CAS Name: N-methyl-N-[1-[5-(trifluoromethyl)-3-pyridinyl]-1-pyrrolidin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[1-[5-(trifluoromethyl)pyridin-3-yl]pyrrolidin-1-ium-1-yl]carbamate Traditional Name: N-methyl-N-[1-[5-(trifluoromethyl)-3-pyridyl]pyrrolidin-1-ium-1-yl]carbamic acid tert-butyl ester Formula: C16H23F3N3O2+ MolecularWeight: 346.36793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)[N+]1(CCCC1)C2=CN=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N(C)[N+]1(CCCC1)C2=CN=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H23F3N3O2/c1-15(2,3)24-14(23)21(4)22(7-5-6-8-22)13-9-12(10-20-11-13)16(17,18)19/h9-11H,5-8H2,1-4H3/q+1