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

Systemtic Name: 1-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide Openeye Name: 1-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide CAS Name: 1-[2-(3-methyl-1-imidazol-3-iumyl)ethylamino]anthracene-9,10-dione bromide IUPAC Name: 1-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide Traditional Name: 1-[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=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O.[Br-]

InChI

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