1-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-hydroxy-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione CAS Name: 1-hydroxy-4-[3-(3-methyl-1-imidazol-3-iumyl)propylamino]anthracene-9,10-dione IUPAC Name: 1-hydroxy-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione Traditional Name: 1-hydroxy-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-9,10-anthraquinone Formula: C21H20N3O3+ MolecularWeight: 362.4018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCNC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[N+]1=CN(C=C1)CCCNC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3/c1-23-11-12-24(13-23)10-4-9-22-16-7-8-17(25)19-18(16)20(26)14-5-2-3-6-15(14)21(19)27/h2-3,5-8,11-13H,4,9-10H2,1H3,(H-,22,25,26,27)/p+1