Benzyl[3-[[9,10-Dihydro-4-[Isopropylamino]-9,10-Dioxo-1-Anthryl]Amino]Propyl]Dimethylammonium Acetate
[CAS# 71335-02-9]

Identification

• Name: Benzyl[3-[[9,10-Dihydro-4-[Isopropylamino]-9,10-Dioxo-1-Anthryl]Amino]Propyl]Dimethylammonium Acetate
• Synonyms: 3-[[4-(Isopropylamino)-9,10-Dioxo-1-Anthryl]Amino]Propyl-Dimethyl-(Phenylmethyl)Ammonium Acetate; Benzyl-[3-[[4-(Isopropylamino)-9,10-Diketo-1-Anthryl]Amino]Propyl]-Dimethyl-Ammonium Acetate; 3-[[9,10-Dioxo-4-(Propan-2-Ylamino)Anthracen-1-Yl]Amino]Propyl-Dimethyl-(Phenylmethyl)Azanium Ethanoate
• Molecular Formula: C₃₁H₃₇N₃O₄
• Molecular Weight: 515.65
• CAS Registry Number: 71335-02-9
• EINECS: 275-341-3
• SMILES: C3=C(NC(C)C)C1=C(C(=O)C2=C(C1=O)C=CC=C2)C(=C3)NCCC[N+](CC4=CC=CC=C4)(C)C.CC([O-])=O
• InChI: 1S/C29H33N3O2.C2H4O2/c1-20(2)31-25-16-15-24(26-27(25)29(34)23-14-9-8-13-22(23)28(26)33)30-17-10-18-32(3,4)19-21-11-6-5-7-12-21;1-2(3)4/h5-9,11-16,20H,10,17-19H2,1-4H3,(H-,30,31,33,34);1H3,(H,3,4)
• InChIKey: OZTCPSOOOSCJBT-UHFFFAOYSA-N