2-[(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]anthracene-9,10-dione hydrochloride

Systemtic Name: 2-[(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]anthracene-9,10-dione hydrochloride Openeye Name: 2-[(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]anthracene-9,10-dione hydrochloride CAS Name: 2-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxymethyl]anthracene-9,10-dione hydrochloride IUPAC Name: 2-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxymethyl]anthracene-9,10-dione hydrochloride Traditional Name: 2-[(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-9,10-anthraquinone hydrochloride Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N)O.Cl

Isomeric SMILES

CC1C(C(CC(O1)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N)O.Cl

InChI

InChI=1S/C21H21NO5.ClH/c1-11-19(23)17(22)9-18(27-11)26-10-12-6-7-15-16(8-12)21(25)14-5-3-2-4-13(14)20(15)24;/h2-8,11,17-19,23H,9-10,22H2,1H3;1H