3-(diethylaminomethyl)-1-methoxy-8-oxidanyl-anthracene-9,10-dione bromide

Systemtic Name: 3-(diethylaminomethyl)-1-methoxy-8-oxidanyl-anthracene-9,10-dione bromide Openeye Name: 3-(diethylaminomethyl)-8-hydroxy-1-methoxy-anthracene-9,10-dione bromide CAS Name: 3-(diethylaminomethyl)-8-hydroxy-1-methoxyanthracene-9,10-dione bromide IUPAC Name: 3-(diethylaminomethyl)-8-hydroxy-1-methoxyanthracene-9,10-dione bromide Traditional Name: 3-(diethylaminomethyl)-8-hydroxy-1-methoxy-9,10-anthraquinone bromide Formula: C20H21BrNO4- MolecularWeight: 419.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)OC.[Br-]

Isomeric SMILES

CCN(CC)CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)OC.[Br-]

InChI

InChI=1S/C20H21NO4.BrH/c1-4-21(5-2)11-12-9-14-18(16(10-12)25-3)20(24)17-13(19(14)23)7-6-8-15(17)22;/h6-10,22H,4-5,11H2,1-3H3;1H/p-1