(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium dichloride

Systemtic Name: (7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium dichloride Openeye Name: (7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium dichloride CAS Name: (7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methyl-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium dichloride IUPAC Name: (7-hydroxy-2-oxo-4-phenylchromen-8-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium dichloride Traditional Name: (7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium dichloride Formula: C25H32Cl2N2O3 MolecularWeight: 479.43918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH2+]CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O)C.[Cl-].[Cl-]

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH2+]CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O)C.[Cl-].[Cl-]

InChI

InChI=1S/C25H30N2O3.2ClH/c1-24(2)13-17(14-25(3,4)27-24)26-15-20-21(28)11-10-18-19(12-22(29)30-23(18)20)16-8-6-5-7-9-16;;/h5-12,17,26-28H,13-15H2,1-4H3;2*1H