1-(2-hydroxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-anthracene-9,10-dione

Systemtic Name: 1-(2-hydroxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-anthracene-9,10-dione Openeye Name: 1-(2-hydroxyethylamino)-2-(4-methylpiperazin-4-ium-1-carbonyl)anthracene-9,10-dione CAS Name: 1-(2-hydroxyethylamino)-2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]anthracene-9,10-dione IUPAC Name: 1-(2-hydroxyethylamino)-2-(4-methylpiperazin-4-ium-1-carbonyl)anthracene-9,10-dione Traditional Name: 1-(2-hydroxyethylamino)-2-(4-methylpiperazin-4-ium-1-carbonyl)-9,10-anthraquinone Formula: C22H24N3O4+ MolecularWeight: 394.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO

InChI

InChI=1S/C22H23N3O4/c1-24-9-11-25(12-10-24)22(29)17-7-6-16-18(19(17)23-8-13-26)21(28)15-5-3-2-4-14(15)20(16)27/h2-7,23,26H,8-13H2,1H3/p+1