3-[3-(dimethylazaniumyl)propyl-(4-nitrophenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(dimethylazaniumyl)propyl-(4-nitrophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[3-(dimethylammonio)propyl-(4-nitrobenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[3-(dimethylammonio)propyl-[(4-nitrophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(dimethylazaniumyl)propyl-(4-nitrobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[3-(dimethylammonio)propyl-(4-nitrobenzoyl)amino]propyl-dimethyl-ammonium Formula: C17H30N4O3+2 MolecularWeight: 338.4451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3/c1-18(2)11-5-13-20(14-6-12-19(3)4)17(22)15-7-9-16(10-8-15)21(23)24/h7-10H,5-6,11-14H2,1-4H3/p+2