3-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 3-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl-trimethyl-azanium; methyl sulfate Openeye Name: 3-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)amino]propyl-trimethyl-ammonium; methyl sulfate CAS Name: 3-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]propyl-trimethylammonium; methyl sulfate IUPAC Name: 3-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]propyl-trimethylazanium; methyl sulfate Traditional Name: 3-[(4-amino-3-bromo-9,10-diketo-1-anthryl)amino]propyl-trimethyl-ammonium; methyl sulfate Formula: C21H26BrN3O6S MolecularWeight: 528.41664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)Br.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)Br.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H22BrN3O2.CH4O4S/c1-24(2,3)10-6-9-23-15-11-14(21)18(22)17-16(15)19(25)12-7-4-5-8-13(12)20(17)26;1-5-6(2,3)4/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2-,22,23,25,26);1H3,(H,2,3,4)