2-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]ethyl-ethyl-[(4-nitrophenyl)methyl]azanium bromide

Systemtic Name: 2-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]ethyl-ethyl-[(4-nitrophenyl)methyl]azanium bromide Openeye Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-ethyl-[(4-nitrophenyl)methyl]ammonium bromide CAS Name: 2-[[(9-amino-5-methyl-4-acridinyl)-oxomethyl]amino]ethyl-ethyl-[(4-nitrophenyl)methyl]ammonium bromide IUPAC Name: 2-[(9-amino-5-methylacridine-4-carbonyl)amino]ethyl-ethyl-[(4-nitrophenyl)methyl]azanium bromide Traditional Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-ethyl-(4-nitrobenzyl)ammonium bromide Formula: C26H28BrN5O3 MolecularWeight: 538.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCNC(=O)C1=CC=CC2=C1N=C3C(=CC=CC3=C2N)C)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC[NH+](CCNC(=O)C1=CC=CC2=C1N=C3C(=CC=CC3=C2N)C)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C26H27N5O3.BrH/c1-3-30(16-18-10-12-19(13-11-18)31(33)34)15-14-28-26(32)22-9-5-8-21-23(27)20-7-4-6-17(2)24(20)29-25(21)22;/h4-13H,3,14-16H2,1-2H3,(H2,27,29)(H,28,32);1H