5-tert-butyl-3-(piperidin-1-ium-1-ylmethyl)benzene-1,2-diol

Systemtic Name: 5-tert-butyl-3-(piperidin-1-ium-1-ylmethyl)benzene-1,2-diol Openeye Name: 5-tert-butyl-3-(piperidin-1-ium-1-ylmethyl)benzene-1,2-diol CAS Name: 5-tert-butyl-3-(1-piperidin-1-iumylmethyl)benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-(piperidin-1-ium-1-ylmethyl)benzene-1,2-diol Traditional Name: 5-tert-butyl-3-(piperidin-1-ium-1-ylmethyl)pyrocatechol Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)C[NH+]2CCCCC2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)C[NH+]2CCCCC2

InChI

InChI=1S/C16H25NO2/c1-16(2,3)13-9-12(15(19)14(18)10-13)11-17-7-5-4-6-8-17/h9-10,18-19H,4-8,11H2,1-3H3/p+1