5-tert-butyl-3-(morpholin-4-ium-4-ylmethyl)benzene-1,2-diol

Systemtic Name: 5-tert-butyl-3-(morpholin-4-ium-4-ylmethyl)benzene-1,2-diol Openeye Name: 5-tert-butyl-3-(morpholin-4-ium-4-ylmethyl)benzene-1,2-diol CAS Name: 5-tert-butyl-3-(4-morpholin-4-iumylmethyl)benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-(morpholin-4-ium-4-ylmethyl)benzene-1,2-diol Traditional Name: 5-tert-butyl-3-(morpholin-4-ium-4-ylmethyl)pyrocatechol Formula: C15H24NO3+ MolecularWeight: 266.35596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)C[NH+]2CCOCC2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)C[NH+]2CCOCC2

InChI

InChI=1S/C15H23NO3/c1-15(2,3)12-8-11(14(18)13(17)9-12)10-16-4-6-19-7-5-16/h8-9,17-18H,4-7,10H2,1-3H3/p+1