2-[[5-(1-hydroxyethyloxy)-2-nitro-phenyl]amino]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[[5-(1-hydroxyethyloxy)-2-nitro-phenyl]amino]ethyl-trimethyl-azanium iodide Openeye Name: 2-[5-(1-hydroxyethoxy)-2-nitro-anilino]ethyl-trimethyl-ammonium iodide CAS Name: 2-[5-(1-hydroxyethoxy)-2-nitroanilino]ethyl-trimethylammonium iodide IUPAC Name: 2-[5-(1-hydroxyethoxy)-2-nitroanilino]ethyl-trimethylazanium iodide Traditional Name: 2-[5-(1-hydroxyethoxy)-2-nitro-anilino]ethyl-trimethyl-ammonium iodide Formula: C13H22IN3O4 MolecularWeight: 411.23595

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OC1=CC(=C(C=C1)[N+](=O)[O-])NCC[N+](C)(C)C.[I-]

Isomeric SMILES

CC(O)OC1=CC(=C(C=C1)[N+](=O)[O-])NCC[N+](C)(C)C.[I-]

InChI

InChI=1S/C13H22N3O4.HI/c1-10(17)20-11-5-6-13(15(18)19)12(9-11)14-7-8-16(2,3)4;/h5-6,9-10,14,17H,7-8H2,1-4H3;1H/q+1;/p-1