1,4-bis(4-methyl-4-oxidanidyl-1,4-diazepan-4-ium-1-yl)-5,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1,4-bis(4-methyl-4-oxidanidyl-1,4-diazepan-4-ium-1-yl)-5,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,4-dihydroxy-5,8-bis(4-methyl-4-oxido-1,4-diazepan-4-ium-1-yl)anthracene-9,10-dione CAS Name: 1,4-dihydroxy-5,8-bis(4-methyl-4-oxido-1,4-diazepan-4-ium-1-yl)anthracene-9,10-dione IUPAC Name: 1,4-dihydroxy-5,8-bis(4-methyl-4-oxido-1,4-diazepan-4-ium-1-yl)anthracene-9,10-dione Traditional Name: 1,4-dihydroxy-5,8-bis(4-methyl-4-oxido-1,4-diazepan-4-ium-1-yl)-9,10-anthraquinone Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCN(CC1)C2=C3C(=C(C=C2)N4CCC[N+](CC4)(C)[O-])C(=O)C5=C(C=CC(=C5C3=O)O)O)[O-]

Isomeric SMILES

C[N+]1(CCCN(CC1)C2=C3C(=C(C=C2)N4CCC[N+](CC4)(C)[O-])C(=O)C5=C(C=CC(=C5C3=O)O)O)[O-]

InChI

InChI=1S/C26H32N4O6/c1-29(35)13-3-9-27(11-15-29)17-5-6-18(28-10-4-14-30(2,36)16-12-28)22-21(17)25(33)23-19(31)7-8-20(32)24(23)26(22)34/h5-8,31-32H,3-4,9-16H2,1-2H3