1-[2,5-bis[1-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]ethanone dihydrochloride

Systemtic Name: 1-[2,5-bis[1-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]ethanone dihydrochloride Openeye Name: 1-[2,5-bis[1-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethanone dihydrochloride CAS Name: 1-[2,5-bis[1-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethanone dihydrochloride IUPAC Name: 1-[2,5-bis[1-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethanone dihydrochloride Traditional Name: 1-[2,5-bis[1-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethanone dihydrochloride Formula: C22H40Cl2N2O5 MolecularWeight: 483.4694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(NC(C)(C)C)OC1=CC(=C(C=C1)OC(C(C)O)NC(C)(C)C)C(=O)C)O.Cl.Cl

Isomeric SMILES

CC(C(NC(C)(C)C)OC1=CC(=C(C=C1)OC(C(C)O)NC(C)(C)C)C(=O)C)O.Cl.Cl

InChI

InChI=1S/C22H38N2O5.2ClH/c1-13(25)17-12-16(28-19(14(2)26)23-21(4,5)6)10-11-18(17)29-20(15(3)27)24-22(7,8)9;;/h10-12,14-15,19-20,23-24,26-27H,1-9H3;2*1H