2-[(2,4-dinitrophenyl)amino]ethyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]ethyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide Openeye Name: 2-(2,4-dinitroanilino)ethyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dibromide CAS Name: 2-(2,4-dinitroanilino)ethyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dibromide IUPAC Name: 2-(2,4-dinitroanilino)ethyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide Traditional Name: 2-(2,4-dinitroanilino)ethyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dibromide Formula: C16H29Br2N5O4 MolecularWeight: 515.24056

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC[N+](C)(C)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].[Br-].[Br-]

Isomeric SMILES

C[N+](C)(C)CCC[N+](C)(C)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].[Br-].[Br-]

InChI

InChI=1S/C16H29N5O4.2BrH/c1-20(2,3)10-6-11-21(4,5)12-9-17-15-8-7-14(18(22)23)13-16(15)19(24)25;;/h7-8,13,17H,6,9-12H2,1-5H3;2*1H/q+2;;/p-2