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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCCNC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCOCC1)CCCNC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H24N2O4.CH4O4S/c1-24(11-13-28-14-12-24)10-4-9-23-17-7-8-18(25)20-19(17)21(26)15-5-2-3-6-16(15)22(20)27;1-5-6(2,3)4/h2-3,5-8H,4,9-14H2,1H3,(H-,23,25,26,27);1H3,(H,2,3,4)