2-[4-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenoxy]ethyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2-[4-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenoxy]ethyl-trimethyl-azanium; methyl sulfate Openeye Name: 2-[4-[(4-amino-9,10-dioxo-1-anthryl)amino]phenoxy]ethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-[4-[(4-amino-9,10-dioxo-1-anthracenyl)amino]phenoxy]ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-[4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]phenoxy]ethyl-trimethylazanium; methyl sulfate Traditional Name: 2-[4-[(4-amino-9,10-diketo-1-anthryl)amino]phenoxy]ethyl-trimethyl-ammonium; methyl sulfate Formula: C26H29N3O7S MolecularWeight: 527.58936

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCOC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H25N3O3.CH4O4S/c1-28(2,3)14-15-31-17-10-8-16(9-11-17)27-21-13-12-20(26)22-23(21)25(30)19-7-5-4-6-18(19)24(22)29;1-5-6(2,3)4/h4-13H,14-15H2,1-3H3,(H2-,26,27,29,30);1H3,(H,2,3,4)