2-[3-(3H-benzimidazol-1-ium-1-yl)-2-oxidanyl-propoxy]anthracene-9,10-dione

Systemtic Name: 2-[3-(3H-benzimidazol-1-ium-1-yl)-2-oxidanyl-propoxy]anthracene-9,10-dione Openeye Name: 2-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxy-propoxy]anthracene-9,10-dione CAS Name: 2-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxypropoxy]anthracene-9,10-dione IUPAC Name: 2-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxypropoxy]anthracene-9,10-dione Traditional Name: 2-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxy-propoxy]-9,10-anthraquinone Formula: C24H19N2O4+ MolecularWeight: 399.41866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)OCC(C[N+]4=CNC5=CC=CC=C54)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)OCC(C[N+]4=CNC5=CC=CC=C54)O

InChI

InChI=1S/C24H18N2O4/c27-15(12-26-14-25-21-7-3-4-8-22(21)26)13-30-16-9-10-19-20(11-16)24(29)18-6-2-1-5-17(18)23(19)28/h1-11,14-15,27H,12-13H2/p+1