[4'-azaniumyl-1',1',3,3-tetramethyl-5',6-bis(oxidanyl)-1,3'-spirobi[2H-indene]-5-yl]azanium dichloride

Systemtic Name: [4'-azaniumyl-1',1',3,3-tetramethyl-5',6-bis(oxidanyl)-1,3'-spirobi[2H-indene]-5-yl]azanium dichloride Openeye Name: (4'-azaniumyl-5',6-dihydroxy-1',1',3,3-tetramethyl-1,3'-spirobi[indane]-5-yl)ammonium dichloride CAS Name: (4'-ammonio-5',6-dihydroxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)ammonium dichloride IUPAC Name: (4'-azaniumyl-5',6-dihydroxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)azanium dichloride Traditional Name: (4'-ammonio-5',6-dihydroxy-1',1',3,3-tetramethyl-1,3'-spirobi[indane]-5-yl)ammonium dichloride Formula: C21H28Cl2N2O2 MolecularWeight: 411.36522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2(CC(C3=CC(=C(C=C32)O)[NH3+])(C)C)C4=C1C=CC(=C4[NH3+])O)C.[Cl-].[Cl-]

Isomeric SMILES

CC1(CC2(CC(C3=CC(=C(C=C32)O)[NH3+])(C)C)C4=C1C=CC(=C4[NH3+])O)C.[Cl-].[Cl-]

InChI

InChI=1S/C21H26N2O2.2ClH/c1-19(2)9-21(17-11(19)5-6-15(24)18(17)23)10-20(3,4)12-7-14(22)16(25)8-13(12)21;;/h5-8,24-25H,9-10,22-23H2,1-4H3;2*1H