3-[[9,10-bis(oxidanylidene)-4-[3-(triethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-triethyl-azanium; ethyl sulfate

Systemtic Name: 3-[[9,10-bis(oxidanylidene)-4-[3-(triethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-triethyl-azanium; ethyl sulfate Openeye Name: 3-[[9,10-dioxo-4-[3-(triethylammonio)propylamino]-1-anthryl]amino]propyl-triethyl-ammonium; ethyl sulfate CAS Name: 3-[[9,10-dioxo-4-[3-(triethylammonio)propylamino]-1-anthracenyl]amino]propyl-triethylammonium; ethyl sulfate IUPAC Name: 3-[[9,10-dioxo-4-[3-(triethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-triethylazanium; ethyl sulfate Traditional Name: 3-[[9,10-diketo-4-[3-(triethylammonio)propylamino]-1-anthryl]amino]propyl-triethyl-ammonium; ethyl sulfate Formula: C36H60N4O10S2 MolecularWeight: 773.0124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCNC1=C2C(=C(C=C1)NCCC[N+](CC)(CC)CC)C(=O)C3=CC=CC=C3C2=O.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)CCCNC1=C2C(=C(C=C1)NCCC[N+](CC)(CC)CC)C(=O)C3=CC=CC=C3C2=O.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-]

InChI

InChI=1S/C32H48N4O2.2C2H6O4S/c1-7-35(8-2,9-3)23-15-21-33-27-19-20-28(34-22-16-24-36(10-4,11-5)12-6)30-29(27)31(37)25-17-13-14-18-26(25)32(30)38;2*1-2-6-7(3,4)5/h13-14,17-20H,7-12,15-16,21-24H2,1-6H3;2*2H2,1H3,(H,3,4,5)