2-[(2S,5S)-2,5-dimethylpiperazin-4-ium-1-yl]carbonyl-1-(2-hydroxyethylamino)anthracene-9,10-dione

Systemtic Name: 2-[(2S,5S)-2,5-dimethylpiperazin-4-ium-1-yl]carbonyl-1-(2-hydroxyethylamino)anthracene-9,10-dione Openeye Name: 2-[(2S,5S)-2,5-dimethylpiperazin-4-ium-1-carbonyl]-1-(2-hydroxyethylamino)anthracene-9,10-dione CAS Name: 2-[[(2S,5S)-2,5-dimethyl-1-piperazin-4-iumyl]-oxomethyl]-1-(2-hydroxyethylamino)anthracene-9,10-dione IUPAC Name: 2-[(2S,5S)-2,5-dimethylpiperazin-4-ium-1-carbonyl]-1-(2-hydroxyethylamino)anthracene-9,10-dione Traditional Name: 2-[(2S,5S)-2,5-dimethylpiperazin-4-ium-1-carbonyl]-1-(2-hydroxyethylamino)-9,10-anthraquinone Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]C(CN1C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO)C

Isomeric SMILES

C[C@H]1C[NH2+][C@H](CN1C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO)C

InChI

InChI=1S/C23H25N3O4/c1-13-12-26(14(2)11-25-13)23(30)18-8-7-17-19(20(18)24-9-10-27)22(29)16-6-4-3-5-15(16)21(17)28/h3-8,13-14,24-25,27H,9-12H2,1-2H3/p+1/t13-,14-/m0/s1