tert-butyl N-[[1-(1-oxidanidylpyridin-1-ium-2-yl)-4-oxidanyl-piperidin-4-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[1-(1-oxidanidylpyridin-1-ium-2-yl)-4-oxidanyl-piperidin-4-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)-4-piperidyl]methyl]carbamate CAS Name: N-[[4-hydroxy-1-(1-oxido-2-pyridin-1-iumyl)-4-piperidinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)piperidin-4-yl]methyl]carbamate Traditional Name: N-[[4-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)-4-piperidyl]methyl]carbamic acid tert-butyl ester Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1(CCN(CC1)C2=CC=CC=[N+]2[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1(CCN(CC1)C2=CC=CC=[N+]2[O-])O

InChI

InChI=1S/C16H25N3O4/c1-15(2,3)23-14(20)17-12-16(21)7-10-18(11-8-16)13-6-4-5-9-19(13)22/h4-6,9,21H,7-8,10-12H2,1-3H3,(H,17,20)