acridin-4-ylcarbonyl-(1-azanylethyl)-ethyl-[(4-nitrophenyl)methyl]azanium bromide

Systemtic Name: acridin-4-ylcarbonyl-(1-azanylethyl)-ethyl-[(4-nitrophenyl)methyl]azanium bromide Openeye Name: acridine-4-carbonyl-(1-aminoethyl)-ethyl-[(4-nitrophenyl)methyl]ammonium bromide CAS Name: [4-acridinyl(oxo)methyl]-(1-aminoethyl)-ethyl-[(4-nitrophenyl)methyl]ammonium bromide IUPAC Name: acridine-4-carbonyl-(1-aminoethyl)-ethyl-[(4-nitrophenyl)methyl]azanium bromide Traditional Name: acridine-4-carbonyl-(1-aminoethyl)-ethyl-(4-nitrobenzyl)ammonium bromide Formula: C25H25BrN4O3 MolecularWeight: 509.395

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC1=CC=C(C=C1)[N+](=O)[O-])(C(C)N)C(=O)C2=CC=CC3=CC4=CC=CC=C4N=C32.[Br-]

Isomeric SMILES

CC[N+](CC1=CC=C(C=C1)[N+](=O)[O-])(C(C)N)C(=O)C2=CC=CC3=CC4=CC=CC=C4N=C32.[Br-]

InChI

InChI=1S/C25H25N4O3.BrH/c1-3-29(17(2)26,16-18-11-13-21(14-12-18)28(31)32)25(30)22-9-6-8-20-15-19-7-4-5-10-23(19)27-24(20)22;/h4-15,17H,3,16,26H2,1-2H3;1H/q+1;/p-1