1-[2-[2-hydroxyethyl-(phenylmethyl)amino]ethoxy]-4-oxidanyl-anthracene-9,10-dione hydrochloride

Systemtic Name: 1-[2-[2-hydroxyethyl-(phenylmethyl)amino]ethoxy]-4-oxidanyl-anthracene-9,10-dione hydrochloride Openeye Name: 1-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]-4-hydroxy-anthracene-9,10-dione hydrochloride CAS Name: 1-hydroxy-4-[2-[2-hydroxyethyl-(phenylmethyl)amino]ethoxy]anthracene-9,10-dione hydrochloride IUPAC Name: 1-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]-4-hydroxyanthracene-9,10-dione hydrochloride Traditional Name: 1-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]-4-hydroxy-9,10-anthraquinone hydrochloride Formula: C25H24ClNO5 MolecularWeight: 453.91476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)CCOC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)CCOC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O.Cl

InChI

InChI=1S/C25H23NO5.ClH/c27-14-12-26(16-17-6-2-1-3-7-17)13-15-31-21-11-10-20(28)22-23(21)25(30)19-9-5-4-8-18(19)24(22)29;/h1-11,27-28H,12-16H2;1H