2-[[4-[2-[dimethyl(oxidanidyl)azaniumyl]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-N,N-dimethyl-ethanamine oxide

Systemtic Name: 2-[[4-[2-[dimethyl(oxidanidyl)azaniumyl]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-N,N-dimethyl-ethanamine oxide Openeye Name: 2-[[4-[2-[dimethyl(oxido)ammonio]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]-N,N-dimethyl-ethanamine oxide CAS Name: 2-[[4-[2-[dimethyl(oxido)ammonio]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]-N,N-dimethylethanamine oxide IUPAC Name: 2-[[4-[2-[dimethyl(oxido)azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-N,N-dimethylethanamine oxide Traditional Name: 2-[[4-[2-[dimethyl(oxido)ammonio]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]-N,N-dimethyl-ethanamine oxide Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)[O-]

Isomeric SMILES

C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)[O-]

InChI

InChI=1S/C22H28N4O6/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30/h5-8,23-24,27-28H,9-12H2,1-4H3