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

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl-dimethyl-(2-oxidanylpropyl)azanium Openeye Name: 2-hydroxypropyl-[(4-methoxy-3-nitro-phenyl)methyl]-dimethyl-ammonium CAS Name: 2-hydroxypropyl-[(4-methoxy-3-nitrophenyl)methyl]-dimethylammonium IUPAC Name: 2-hydroxypropyl-[(4-methoxy-3-nitrophenyl)methyl]-dimethylazanium Traditional Name: 2-hydroxypropyl-(4-methoxy-3-nitro-benzyl)-dimethyl-ammonium Formula: C13H21N2O4+ MolecularWeight: 269.31684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N2O4/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/q+1