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

Systemtic Name: 5-tert-butyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]benzene-1,2-diol Openeye Name: 5-tert-butyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]benzene-1,2-diol CAS Name: 5-tert-butyl-3-[(4-methyl-1-piperidin-1-iumyl)methyl]benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]benzene-1,2-diol Traditional Name: 5-tert-butyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrocatechol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C(=CC(=C2)C(C)(C)C)O)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C(=CC(=C2)C(C)(C)C)O)O

InChI

InChI=1S/C17H27NO2/c1-12-5-7-18(8-6-12)11-13-9-14(17(2,3)4)10-15(19)16(13)20/h9-10,12,19-20H,5-8,11H2,1-4H3/p+1