tert-butyl N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbamate Openeye Name: tert-butyl N-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]carbamate CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]carbamate Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]carbamic acid tert-butyl ester Formula: C17H25ClFN2O2+ MolecularWeight: 343.844003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H24ClFN2O2/c1-17(2,3)23-16(22)20-12-7-9-21(10-8-12)11-13-14(18)5-4-6-15(13)19/h4-6,12H,7-11H2,1-3H3,(H,20,22)/p+1