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

Systemtic Name: 1-azanyl-4-(2-hydroxyethylamino)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anthracene-9,10-dione Openeye Name: 1-amino-4-(2-hydroxyethylamino)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anthracene-9,10-dione CAS Name: 1-amino-4-(2-hydroxyethylamino)-2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]anthracene-9,10-dione IUPAC Name: 1-amino-4-(2-hydroxyethylamino)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]anthracene-9,10-dione Traditional Name: 1-amino-4-(2-hydroxyethylamino)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-9,10-anthraquinone Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NCCO

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NCCO

InChI

InChI=1S/C22H26N4O4/c23-20-17(26-8-6-25(7-9-26)10-12-28)13-16(24-5-11-27)18-19(20)22(30)15-4-2-1-3-14(15)21(18)29/h1-4,13,24,27-28H,5-12,23H2/p+1