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

Systemtic Name: 1-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione Openeye Name: 1-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione CAS Name: 1-[3-(3-methyl-1-imidazol-3-iumyl)propylamino]anthracene-9,10-dione IUPAC Name: 1-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione Traditional Name: 1-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-9,10-anthraquinone Formula: C21H20N3O2+ MolecularWeight: 346.4024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[N+]1=CN(C=C1)CCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O2/c1-23-12-13-24(14-23)11-5-10-22-18-9-4-8-17-19(18)21(26)16-7-3-2-6-15(16)20(17)25/h2-4,6-9,12-14H,5,10-11H2,1H3/p+1