dimethyl-[3-[(1-nitroacridin-9-yl)amino]propyl]-[(4-nitrophenyl)methyl]azanium bromide

Systemtic Name: dimethyl-[3-[(1-nitroacridin-9-yl)amino]propyl]-[(4-nitrophenyl)methyl]azanium bromide Openeye Name: dimethyl-[3-[(1-nitroacridin-9-yl)amino]propyl]-[(4-nitrophenyl)methyl]ammonium bromide CAS Name: dimethyl-[3-[(1-nitro-9-acridinyl)amino]propyl]-[(4-nitrophenyl)methyl]ammonium bromide IUPAC Name: dimethyl-[3-[(1-nitroacridin-9-yl)amino]propyl]-[(4-nitrophenyl)methyl]azanium bromide Traditional Name: dimethyl-[3-[(1-nitroacridin-9-yl)amino]propyl]-(4-nitrobenzyl)ammonium bromide Formula: C25H26BrN5O4 MolecularWeight: 540.40904

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+](C)(CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C25H26N5O4.BrH/c1-30(2,17-18-11-13-19(14-12-18)28(31)32)16-6-15-26-25-20-7-3-4-8-21(20)27-22-9-5-10-23(24(22)25)29(33)34;/h3-5,7-14H,6,15-17H2,1-2H3,(H,26,27);1H/q+1;/p-1