6-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,3,8-tris(oxidanyl)anthracene-9,10-dione

Systemtic Name: 6-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,3,8-tris(oxidanyl)anthracene-9,10-dione Openeye Name: 1,3,8-trihydroxy-6-methyl-2-(morpholin-4-ium-4-ylmethyl)anthracene-9,10-dione CAS Name: 1,3,8-trihydroxy-6-methyl-2-(4-morpholin-4-iumylmethyl)anthracene-9,10-dione IUPAC Name: 1,3,8-trihydroxy-6-methyl-2-(morpholin-4-ium-4-ylmethyl)anthracene-9,10-dione Traditional Name: 1,3,8-trihydroxy-6-methyl-2-(morpholin-4-ium-4-ylmethyl)-9,10-anthraquinone Formula: C20H20NO6+ MolecularWeight: 370.3759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C[NH+]4CCOCC4)O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C[NH+]4CCOCC4)O)O

InChI

InChI=1S/C20H19NO6/c1-10-6-11-16(15(23)7-10)20(26)17-12(18(11)24)8-14(22)13(19(17)25)9-21-2-4-27-5-3-21/h6-8,22-23,25H,2-5,9H2,1H3/p+1