3-[3-(dimethylazaniumyl)propyl-(2,4-dinitrophenyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(dimethylazaniumyl)propyl-(2,4-dinitrophenyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[N-[3-(dimethylammonio)propyl]-2,4-dinitro-anilino]propyl-dimethyl-ammonium CAS Name: 3-[N-[3-(dimethylammonio)propyl]-2,4-dinitroanilino]propyl-dimethylammonium IUPAC Name: 3-[N-[3-(dimethylazaniumyl)propyl]-2,4-dinitroanilino]propyl-dimethylazanium Traditional Name: 3-[N-[3-(dimethylammonio)propyl]-2,4-dinitro-anilino]propyl-dimethyl-ammonium Formula: C16H29N5O4+2 MolecularWeight: 355.43256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CCC[NH+](C)C)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN(CCC[NH+](C)C)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H27N5O4/c1-17(2)9-5-11-19(12-6-10-18(3)4)15-8-7-14(20(22)23)13-16(15)21(24)25/h7-8,13H,5-6,9-12H2,1-4H3/p+2