2-azanylethyl-(4-methoxycarbonyl-2-nitro-phenyl)-dimethyl-azanium

Systemtic Name: 2-azanylethyl-(4-methoxycarbonyl-2-nitro-phenyl)-dimethyl-azanium Openeye Name: 2-aminoethyl-(4-methoxycarbonyl-2-nitro-phenyl)-dimethyl-ammonium CAS Name: 2-aminoethyl-(4-methoxycarbonyl-2-nitrophenyl)-dimethylammonium IUPAC Name: 2-aminoethyl-(4-methoxycarbonyl-2-nitrophenyl)-dimethylazanium Traditional Name: 2-aminoethyl-(4-carbomethoxy-2-nitro-phenyl)-dimethyl-ammonium Formula: C12H18N3O4+ MolecularWeight: 268.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N3O4/c1-15(2,7-6-13)11-5-4-9(12(16)19-3)8-10(11)14(17)18/h4-5,8H,6-7,13H2,1-3H3/q+1