3-[[3-[3-(dimethylazaniumyl)propylcarbamoyl]-5-nitro-phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-[3-(dimethylazaniumyl)propylcarbamoyl]-5-nitro-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-[3-(dimethylammonio)propylcarbamoyl]-5-nitro-benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-[[3-(dimethylammonio)propylamino]-oxomethyl]-5-nitrophenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-[3-(dimethylazaniumyl)propylcarbamoyl]-5-nitrobenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-[3-(dimethylammonio)propylcarbamoyl]-5-nitro-benzoyl]amino]propyl-dimethyl-ammonium Formula: C18H31N5O4+2 MolecularWeight: 381.46984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCC[NH+](C)C

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C18H29N5O4/c1-21(2)9-5-7-19-17(24)14-11-15(13-16(12-14)23(26)27)18(25)20-8-6-10-22(3)4/h11-13H,5-10H2,1-4H3,(H,19,24)(H,20,25)/p+2