[3-[(4-bromanyl-2-nitro-phenyl)amino]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[(4-bromanyl-2-nitro-phenyl)amino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-(4-bromo-2-nitro-anilino)-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-(4-bromo-2-nitroanilino)-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-(4-bromo-2-nitroanilino)-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-(4-bromo-2-nitro-anilino)-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C13H21BrN3O2+ MolecularWeight: 331.22874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)Br)[N+](=O)[O-])C[NH+](C)C

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)Br)[N+](=O)[O-])C[NH+](C)C

InChI

InChI=1S/C13H20BrN3O2/c1-13(2,9-16(3)4)8-15-11-6-5-10(14)7-12(11)17(18)19/h5-7,15H,8-9H2,1-4H3/p+1