1-azanyl-4-[[3-(dimethylaminomethyl)phenyl]amino]anthracene-9,10-dione; methyl hydrogen sulfate

Systemtic Name: 1-azanyl-4-[[3-(dimethylaminomethyl)phenyl]amino]anthracene-9,10-dione; methyl hydrogen sulfate Openeye Name: 1-amino-4-[3-(dimethylaminomethyl)anilino]anthracene-9,10-dione; methyl hydrogen sulfate CAS Name: 1-amino-4-[3-(dimethylaminomethyl)anilino]anthracene-9,10-dione; sulfuric acid methyl ester IUPAC Name: 1-amino-4-[3-(dimethylaminomethyl)anilino]anthracene-9,10-dione; methyl hydrogen sulfate Traditional Name: 1-amino-4-[3-(dimethylaminomethyl)anilino]-9,10-anthraquinone; sulfuric acid methyl ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)O

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)O

InChI

InChI=1S/C23H21N3O2.CH4O4S/c1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27;1-5-6(2,3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,2,3,4)