1-(2-azanyl-1-morpholin-4-ium-2-yl-butan-2-yl)-4-oxidanyl-anthracene-9,10-dione; methyl sulfate

Systemtic Name: 1-(2-azanyl-1-morpholin-4-ium-2-yl-butan-2-yl)-4-oxidanyl-anthracene-9,10-dione; methyl sulfate Openeye Name: 1-[1-amino-1-(morpholin-4-ium-2-ylmethyl)propyl]-4-hydroxy-anthracene-9,10-dione; methyl sulfate CAS Name: 1-[2-amino-1-(2-morpholin-4-iumyl)butan-2-yl]-4-hydroxyanthracene-9,10-dione; methyl sulfate IUPAC Name: 1-(2-amino-1-morpholin-4-ium-2-ylbutan-2-yl)-4-hydroxyanthracene-9,10-dione; methyl sulfate Traditional Name: 1-[1-amino-1-(morpholin-4-ium-2-ylmethyl)propyl]-4-hydroxy-9,10-anthraquinone; methyl sulfate Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1C[NH2+]CCO1)(C2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)N.COS(=O)(=O)[O-]

Isomeric SMILES

CCC(CC1C[NH2+]CCO1)(C2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H24N2O4.CH4O4S/c1-2-22(23,11-13-12-24-9-10-28-13)16-7-8-17(25)19-18(16)20(26)14-5-3-4-6-15(14)21(19)27;1-5-6(2,3)4/h3-8,13,24-25H,2,9-12,23H2,1H3;1H3,(H,2,3,4)