2-azanylethyl-(3-imidazol-1-yl-2-nitro-phenyl)-dimethyl-azanium

Systemtic Name: 2-azanylethyl-(3-imidazol-1-yl-2-nitro-phenyl)-dimethyl-azanium Openeye Name: 2-aminoethyl-(3-imidazol-1-yl-2-nitro-phenyl)-dimethyl-ammonium CAS Name: 2-aminoethyl-[3-(1-imidazolyl)-2-nitrophenyl]-dimethylammonium IUPAC Name: 2-aminoethyl-(3-imidazol-1-yl-2-nitrophenyl)-dimethylazanium Traditional Name: 2-aminoethyl-(3-imidazol-1-yl-2-nitro-phenyl)-dimethyl-ammonium Formula: C13H18N5O2+ MolecularWeight: 276.31432

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCN)C1=CC=CC(=C1[N+](=O)[O-])N2C=CN=C2

Isomeric SMILES

C[N+](C)(CCN)C1=CC=CC(=C1[N+](=O)[O-])N2C=CN=C2

InChI

InChI=1S/C13H18N5O2/c1-18(2,9-6-14)12-5-3-4-11(13(12)17(19)20)16-8-7-15-10-16/h3-5,7-8,10H,6,9,14H2,1-2H3/q+1