tert-butyl-[3-[4-[3-(tert-butylazaniumyl)-2-oxidanyl-propoxy]-2-ethanoyl-phenoxy]-2-oxidanyl-propyl]azanium dichloride

Systemtic Name: tert-butyl-[3-[4-[3-(tert-butylazaniumyl)-2-oxidanyl-propoxy]-2-ethanoyl-phenoxy]-2-oxidanyl-propyl]azanium dichloride Openeye Name: [3-[2-acetyl-4-[3-(tert-butylammonio)-2-hydroxy-propoxy]phenoxy]-2-hydroxy-propyl]-tert-butyl-ammonium dichloride CAS Name: [3-[2-acetyl-4-[3-(tert-butylammonio)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-tert-butylammonium dichloride IUPAC Name: [3-[2-acetyl-4-[3-(tert-butylazaniumyl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-tert-butylazanium dichloride Traditional Name: [3-[2-acetyl-4-[3-(tert-butylammonio)-2-hydroxy-propoxy]phenoxy]-2-hydroxy-propyl]-tert-butyl-ammonium dichloride Formula: C22H40Cl2N2O5 MolecularWeight: 483.4694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)OCC(C[NH2+]C(C)(C)C)O)OCC(C[NH2+]C(C)(C)C)O.[Cl-].[Cl-]

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)OCC(C[NH2+]C(C)(C)C)O)OCC(C[NH2+]C(C)(C)C)O.[Cl-].[Cl-]

InChI

InChI=1S/C22H38N2O5.2ClH/c1-15(25)19-10-18(28-13-16(26)11-23-21(2,3)4)8-9-20(19)29-14-17(27)12-24-22(5,6)7;;/h8-10,16-17,23-24,26-27H,11-14H2,1-7H3;2*1H