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

Systemtic Name: 5-tert-butyl-3-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzene-1,2-diol Openeye Name: 5-tert-butyl-3-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzene-1,2-diol CAS Name: 5-tert-butyl-3-[[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzene-1,2-diol Traditional Name: 5-tert-butyl-3-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]pyrocatechol Formula: C22H30NO3+ MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)C[NH+]2CCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)C[NH+]2CCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29NO3/c1-22(2,3)17-12-16(21(25)20(24)13-17)14-23-11-5-6-19(23)15-7-9-18(26-4)10-8-15/h7-10,12-13,19,24-25H,5-6,11,14H2,1-4H3/p+1/t19-/m1/s1