5-tert-butyl-3-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]benzene-1,2-diol

Systemtic Name: 5-tert-butyl-3-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]benzene-1,2-diol Openeye Name: 5-tert-butyl-3-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]benzene-1,2-diol CAS Name: 5-tert-butyl-3-[[(2S)-2-methyl-4-morpholin-4-iumyl]methyl]benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]benzene-1,2-diol Traditional Name: 5-tert-butyl-3-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]pyrocatechol Formula: C16H26NO3+ MolecularWeight: 280.38254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCO1)CC2=C(C(=CC(=C2)C(C)(C)C)O)O

Isomeric SMILES

C[C@H]1C[NH+](CCO1)CC2=C(C(=CC(=C2)C(C)(C)C)O)O

InChI

InChI=1S/C16H25NO3/c1-11-9-17(5-6-20-11)10-12-7-13(16(2,3)4)8-14(18)15(12)19/h7-8,11,18-19H,5-6,9-10H2,1-4H3/p+1/t11-/m0/s1