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

Systemtic Name: 1-[3-(4-methylmorpholin-4-ium-4-yl)propylamino]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propylamino]anthracene-9,10-dione CAS Name: 1-hydroxy-4-[3-(4-methyl-4-morpholin-4-iumyl)propylamino]anthracene-9,10-dione IUPAC Name: 1-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propylamino]anthracene-9,10-dione Traditional Name: 1-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propylamino]-9,10-anthraquinone Formula: C22H25N2O4+ MolecularWeight: 381.4449

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/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/h2-3,5-8H,4,9-14H2,1H3,(H-,23,25,26,27)/p+1