tert-butyl N-[1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl]carbamate CAS Name: N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]carbamate Traditional Name: N-[1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C16H22ClF3N3O2+ MolecularWeight: 380.81299

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C16H21ClF3N3O2/c1-15(2,3)25-14(24)22-11-4-6-23(7-5-11)13-12(17)8-10(9-21-13)16(18,19)20/h8-9,11H,4-7H2,1-3H3,(H,22,24)/p+1