2-(4-azanylbutyl)-1,4-bis(oxidanyl)anthracene-9,10-dione hydrochloride

Systemtic Name: 2-(4-azanylbutyl)-1,4-bis(oxidanyl)anthracene-9,10-dione hydrochloride Openeye Name: 2-(4-aminobutyl)-1,4-dihydroxy-anthracene-9,10-dione hydrochloride CAS Name: 2-(4-aminobutyl)-1,4-dihydroxyanthracene-9,10-dione hydrochloride IUPAC Name: 2-(4-aminobutyl)-1,4-dihydroxyanthracene-9,10-dione hydrochloride Traditional Name: 2-(4-aminobutyl)-1,4-dihydroxy-9,10-anthraquinone hydrochloride Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCN)O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCN)O.Cl

InChI

InChI=1S/C18H17NO4.ClH/c19-8-4-3-5-10-9-13(20)14-15(16(10)21)18(23)12-7-2-1-6-11(12)17(14)22;/h1-2,6-7,9,20-21H,3-5,8,19H2;1H