1-azanyl-4-[[4-[3-(4-methylmorpholin-4-ium-4-yl)-2-oxidanyl-propoxy]phenyl]amino]anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-[[4-[3-(4-methylmorpholin-4-ium-4-yl)-2-oxidanyl-propoxy]phenyl]amino]anthracene-9,10-dione Openeye Name: 1-amino-4-[4-[2-hydroxy-3-(4-methylmorpholin-4-ium-4-yl)propoxy]anilino]anthracene-9,10-dione CAS Name: 1-amino-4-[4-[2-hydroxy-3-(4-methyl-4-morpholin-4-iumyl)propoxy]anilino]anthracene-9,10-dione IUPAC Name: 1-amino-4-[4-[2-hydroxy-3-(4-methylmorpholin-4-ium-4-yl)propoxy]anilino]anthracene-9,10-dione Traditional Name: 1-amino-4-[4-[2-hydroxy-3-(4-methylmorpholin-4-ium-4-yl)propoxy]anilino]-9,10-anthraquinone Formula: C28H30N3O5+ MolecularWeight: 488.5549

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC(COC2=CC=C(C=C2)NC3=C4C(=C(C=C3)N)C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

C[N+]1(CCOCC1)CC(COC2=CC=C(C=C2)NC3=C4C(=C(C=C3)N)C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C28H29N3O5/c1-31(12-14-35-15-13-31)16-19(32)17-36-20-8-6-18(7-9-20)30-24-11-10-23(29)25-26(24)28(34)22-5-3-2-4-21(22)27(25)33/h2-11,19,32H,12-17H2,1H3,(H2-,29,30,33,34)/p+1