tert-butyl 4-[4-(hydroxymethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(hydroxymethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(hydroxymethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-(hydroxymethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(hydroxymethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate Traditional Name: 4-(4-methylolpyridin-1-ium-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C15H24N3O3+ MolecularWeight: 294.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=[NH+]C=CC(=C2)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=[NH+]C=CC(=C2)CO

InChI

InChI=1S/C15H23N3O3/c1-15(2,3)21-14(20)18-8-6-17(7-9-18)13-10-12(11-19)4-5-16-13/h4-5,10,19H,6-9,11H2,1-3H3/p+1