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

Systemtic Name: tert-butyl N-[[4-(hydroxymethyl)-1-(1-oxidanidylpyridin-1-ium-4-yl)piperidin-4-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(hydroxymethyl)-1-(1-oxidopyridin-1-ium-4-yl)-4-piperidyl]methyl]carbamate CAS Name: N-[[4-(hydroxymethyl)-1-(1-oxido-4-pyridin-1-iumyl)-4-piperidinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(hydroxymethyl)-1-(1-oxidopyridin-1-ium-4-yl)piperidin-4-yl]methyl]carbamate Traditional Name: N-[[4-methylol-1-(1-oxidopyridin-1-ium-4-yl)-4-piperidyl]methyl]carbamic acid tert-butyl ester Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4/c1-16(2,3)24-15(22)18-12-17(13-21)6-10-19(11-7-17)14-4-8-20(23)9-5-14/h4-5,8-9,21H,6-7,10-13H2,1-3H3,(H,18,22)