2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide

Systemtic Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide Openeye Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide CAS Name: 2-[2-(3-methyl-1-imidazol-3-iumyl)ethylamino]anthracene-9,10-dione bromide IUPAC Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide Traditional Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-9,10-anthraquinone bromide Formula: C20H18BrN3O2 MolecularWeight: 412.27982

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O.[Br-]

InChI

InChI=1S/C20H17N3O2.BrH/c1-22-10-11-23(13-22)9-8-21-14-6-7-17-18(12-14)20(25)16-5-3-2-4-15(16)19(17)24;/h2-7,10-13H,8-9H2,1H3;1H