ethyl-[2-hydroxyethyl-(2-nitrophenyl)amino]-dimethyl-azanium bromide

Systemtic Name: ethyl-[2-hydroxyethyl-(2-nitrophenyl)amino]-dimethyl-azanium bromide Openeye Name: ethyl-[N-(2-hydroxyethyl)-2-nitro-anilino]-dimethyl-ammonium bromide CAS Name: ethyl-[N-(2-hydroxyethyl)-2-nitroanilino]-dimethylammonium bromide IUPAC Name: ethyl-[N-(2-hydroxyethyl)-2-nitroanilino]-dimethylazanium bromide Traditional Name: ethyl-[N-(2-hydroxyethyl)-2-nitro-anilino]-dimethyl-ammonium bromide Formula: C12H20BrN3O3 MolecularWeight: 334.2095

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)N(CCO)C1=CC=CC=C1[N+](=O)[O-].[Br-]

Isomeric SMILES

CC[N+](C)(C)N(CCO)C1=CC=CC=C1[N+](=O)[O-].[Br-]

InChI

InChI=1S/C12H20N3O3.BrH/c1-4-15(2,3)13(9-10-16)11-7-5-6-8-12(11)14(17)18;/h5-8,16H,4,9-10H2,1-3H3;1H/q+1;/p-1