2-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-methyl-biphenylene-4a-carboxylate; methanesulfonate

Systemtic Name: 2-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-methyl-biphenylene-4a-carboxylate; methanesulfonate Openeye Name: 2-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methyl-biphenylene-4a-carboxylate; methanesulfonate CAS Name: 2-[2-(tert-butylamino)-1-hydroxyethyl]-2-methyl-4a-biphenylenecarboxylate; methanesulfonate IUPAC Name: 2-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylbiphenylene-4a-carboxylate; methanesulfonate Traditional Name: 2-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methyl-biphenylene-4a-carboxylate mesylate Formula: C21H27NO6S-2 MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2(C3=CC=CC=C3C2=C1)C(=O)[O-])C(CNC(C)(C)C)O.CS(=O)(=O)[O-]

Isomeric SMILES

CC1(C=CC2(C3=CC=CC=C3C2=C1)C(=O)[O-])C(CNC(C)(C)C)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H25NO3.CH4O3S/c1-18(2,3)21-12-16(22)19(4)9-10-20(17(23)24)14-8-6-5-7-13(14)15(20)11-19;1-5(2,3)4/h5-11,16,21-22H,12H2,1-4H3,(H,23,24);1H3,(H,2,3,4)/p-2