2-(acridin-4-ylcarbonylamino)ethyl-ethyl-[(4-nitrophenyl)methyl]azanium bromide

Systemtic Name: 2-(acridin-4-ylcarbonylamino)ethyl-ethyl-[(4-nitrophenyl)methyl]azanium bromide Openeye Name: 2-(acridine-4-carbonylamino)ethyl-ethyl-[(4-nitrophenyl)methyl]ammonium bromide CAS Name: 2-[[4-acridinyl(oxo)methyl]amino]ethyl-ethyl-[(4-nitrophenyl)methyl]ammonium bromide IUPAC Name: 2-(acridine-4-carbonylamino)ethyl-ethyl-[(4-nitrophenyl)methyl]azanium bromide Traditional Name: 2-(acridine-4-carbonylamino)ethyl-ethyl-(4-nitrobenzyl)ammonium bromide Formula: C25H25BrN4O3 MolecularWeight: 509.395

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC[NH+](CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C25H24N4O3.BrH/c1-2-28(17-18-10-12-21(13-11-18)29(31)32)15-14-26-25(30)22-8-5-7-20-16-19-6-3-4-9-23(19)27-24(20)22;/h3-13,16H,2,14-15,17H2,1H3,(H,26,30);1H