hydrogen sulfate; 1-(methylamino)-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione

Systemtic Name: hydrogen sulfate; 1-(methylamino)-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione Openeye Name: hydrogen sulfate; 1-(methylamino)-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione CAS Name: hydrogen sulfate; 1-(methylamino)-4-[3-(3-methyl-1-imidazol-3-iumyl)propylamino]anthracene-9,10-dione IUPAC Name: hydrogen sulfate; 1-(methylamino)-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione Traditional Name: 1-(methylamino)-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-9,10-anthraquinone bisulfate Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C2C(=C(C=C1)NCCCN3C=C[N+](=C3)C)C(=O)C4=CC=CC=C4C2=O.OS(=O)(=O)[O-]

Isomeric SMILES

CNC1=C2C(=C(C=C1)NCCCN3C=C[N+](=C3)C)C(=O)C4=CC=CC=C4C2=O.OS(=O)(=O)[O-]

InChI

InChI=1S/C22H22N4O2.H2O4S/c1-23-17-8-9-18(24-10-5-11-26-13-12-25(2)14-26)20-19(17)21(27)15-6-3-4-7-16(15)22(20)28;1-5(2,3)4/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H-,23,24,27,28);(H2,1,2,3,4)