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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCC[N+](C)(C)CC4=CC=C(C=C4)[N+](=O)[O-])N=C12)N.[Br-]

Isomeric SMILES

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCC[N+](C)(C)CC4=CC=C(C=C4)[N+](=O)[O-])N=C12)N.[Br-]

InChI

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