(3-azaniumyl-2-methyl-2H-1,4-benzoxazin-6-yl)methyl-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]azanium dichloride

Systemtic Name: (3-azaniumyl-2-methyl-2H-1,4-benzoxazin-6-yl)methyl-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]azanium dichloride Openeye Name: (3-azaniumyl-2-methyl-2H-1,4-benzoxazin-6-yl)methyl-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]ammonium dichloride CAS Name: (3-ammonio-2-methyl-2H-1,4-benzoxazin-6-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ammonium dichloride IUPAC Name: (3-azaniumyl-2-methyl-2H-1,4-benzoxazin-6-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]azanium dichloride Traditional Name: (3-ammonio-2-methyl-2H-1,4-benzoxazin-6-yl)methyl-(3,5-ditert-butyl-4-hydroxy-benzyl)ammonium dichloride Formula: C25H37Cl2N3O2 MolecularWeight: 482.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)C[NH2+]CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)C[NH2+]CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C25H35N3O2.2ClH/c1-15-23(26)28-20-12-16(8-9-21(20)30-15)13-27-14-17-10-18(24(2,3)4)22(29)19(11-17)25(5,6)7;;/h8-12,15,27,29H,13-14H2,1-7H3,(H2,26,28);2*1H