tert-butyl N-[2-[(4-chloranyl-1-methyl-pyridin-1-ium-2-yl)methylsulfanyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(4-chloranyl-1-methyl-pyridin-1-ium-2-yl)methylsulfanyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(4-chloro-1-methyl-pyridin-1-ium-2-yl)methylsulfanyl]ethyl]carbamate CAS Name: N-[2-[(4-chloro-1-methyl-2-pyridin-1-iumyl)methylthio]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(4-chloro-1-methylpyridin-1-ium-2-yl)methylsulfanyl]ethyl]carbamate Traditional Name: N-[2-[(4-chloro-1-methyl-pyridin-1-ium-2-yl)methylthio]ethyl]carbamic acid tert-butyl ester Formula: C14H22ClN2O2S+ MolecularWeight: 317.85468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSCC1=[N+](C=CC(=C1)Cl)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCSCC1=[N+](C=CC(=C1)Cl)C

InChI

InChI=1S/C14H21ClN2O2S/c1-14(2,3)19-13(18)16-6-8-20-10-12-9-11(15)5-7-17(12)4/h5,7,9H,6,8,10H2,1-4H3/p+1