1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anthracene-9,10-dione

Systemtic Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anthracene-9,10-dione Openeye Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anthracene-9,10-dione CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]anthracene-9,10-dione IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anthracene-9,10-dione Traditional Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-9,10-anthraquinone Formula: C20H21N2O3+ MolecularWeight: 337.39234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N2O3/c23-13-12-21-8-10-22(11-9-21)17-7-3-6-16-18(17)20(25)15-5-2-1-4-14(15)19(16)24/h1-7,23H,8-13H2/p+1