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

Systemtic Name: 1-(2-hydroxyethylamino)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-anthracene-9,10-dione Openeye Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(2-hydroxyethylamino)anthracene-9,10-dione CAS Name: 1-(2-hydroxyethylamino)-2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]anthracene-9,10-dione IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(2-hydroxyethylamino)anthracene-9,10-dione Traditional Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(2-hydroxyethylamino)-9,10-anthraquinone Formula: C28H28N3O4+ MolecularWeight: 470.53962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)NCCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)NCCO

InChI

InChI=1S/C28H27N3O4/c32-17-12-29-25-23(11-10-22-24(25)27(34)21-9-5-4-8-20(21)26(22)33)28(35)31-15-13-30(14-16-31)18-19-6-2-1-3-7-19/h1-11,29,32H,12-18H2/p+1