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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCCN(C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCOCC1)CCCN(C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H25N2O4.CH4O4S/c1-24(12-14-28-15-13-24)11-5-10-23(27)19-9-4-8-18-20(19)22(26)17-7-3-2-6-16(17)21(18)25;1-5-6(2,3)4/h2-4,6-9,27H,5,10-15H2,1H3;1H3,(H,2,3,4)/q+1;/p-1