1-[3-(3,4-dimethylmorpholin-4-ium-4-yl)propylamino]-4-oxidanyl-anthracene-9,10-dione; hydrogen sulfate

Systemtic Name: 1-[3-(3,4-dimethylmorpholin-4-ium-4-yl)propylamino]-4-oxidanyl-anthracene-9,10-dione; hydrogen sulfate Openeye Name: 1-[3-(3,4-dimethylmorpholin-4-ium-4-yl)propylamino]-4-hydroxy-anthracene-9,10-dione; hydrogen sulfate CAS Name: 1-[3-(3,4-dimethyl-4-morpholin-4-iumyl)propylamino]-4-hydroxyanthracene-9,10-dione; hydrogen sulfate IUPAC Name: 1-[3-(3,4-dimethylmorpholin-4-ium-4-yl)propylamino]-4-hydroxyanthracene-9,10-dione; hydrogen sulfate Traditional Name: 1-[3-(3,4-dimethylmorpholin-4-ium-4-yl)propylamino]-4-hydroxy-9,10-anthraquinone bisulfate Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCC[N+]1(C)CCCNC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O.OS(=O)(=O)[O-]

Isomeric SMILES

CC1COCC[N+]1(C)CCCNC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O.OS(=O)(=O)[O-]

InChI

InChI=1S/C23H26N2O4.H2O4S/c1-15-14-29-13-12-25(15,2)11-5-10-24-18-8-9-19(26)21-20(18)22(27)16-6-3-4-7-17(16)23(21)28;1-5(2,3)4/h3-4,6-9,15H,5,10-14H2,1-2H3,(H-,24,26,27,28);(H2,1,2,3,4)