1,4-bis(azanyl)-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide

Systemtic Name: 1,4-bis(azanyl)-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide Openeye Name: 1,4-diamino-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide CAS Name: 1,4-diamino-5-[2-(3-methyl-1-imidazol-3-iumyl)ethylamino]anthracene-9,10-dione bromide IUPAC Name: 1,4-diamino-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]anthracene-9,10-dione bromide Traditional Name: 1,4-diamino-5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]-9,10-anthraquinone bromide Formula: C20H20BrN5O2 MolecularWeight: 442.3091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2.BrH/c1-24-9-10-25(11-24)8-7-23-15-4-2-3-12-16(15)20(27)18-14(22)6-5-13(21)17(18)19(12)26;/h2-6,9-11H,7-8H2,1H3,(H4-,21,22,23,26,27);1H