(4-methoxy-3-nitro-phenyl)methyl-dimethyl-(2-oxidanylpropyl)azanium chloride

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl-dimethyl-(2-oxidanylpropyl)azanium chloride Openeye Name: 2-hydroxypropyl-[(4-methoxy-3-nitro-phenyl)methyl]-dimethyl-ammonium chloride CAS Name: 2-hydroxypropyl-[(4-methoxy-3-nitrophenyl)methyl]-dimethylammonium chloride IUPAC Name: 2-hydroxypropyl-[(4-methoxy-3-nitrophenyl)methyl]-dimethylazanium chloride Traditional Name: 2-hydroxypropyl-(4-methoxy-3-nitro-benzyl)-dimethyl-ammonium chloride Formula: C13H21ClN2O4 MolecularWeight: 304.76984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C)CC1=CC(=C(C=C1)OC)[N+](=O)[O-])O.[Cl-]

Isomeric SMILES

CC(C[N+](C)(C)CC1=CC(=C(C=C1)OC)[N+](=O)[O-])O.[Cl-]

InChI

InChI=1S/C13H21N2O4.ClH/c1-10(16)8-15(2,3)9-11-5-6-13(19-4)12(7-11)14(17)18;/h5-7,10,16H,8-9H2,1-4H3;1H/q+1;/p-1