dimethyl-[1-[(3-nitropyridin-2-yl)amino]propyl]-phenyl-azanium

Systemtic Name: dimethyl-[1-[(3-nitropyridin-2-yl)amino]propyl]-phenyl-azanium Openeye Name: dimethyl-[1-[(3-nitro-2-pyridyl)amino]propyl]-phenyl-ammonium CAS Name: dimethyl-[1-[(3-nitro-2-pyridinyl)amino]propyl]-phenylammonium IUPAC Name: dimethyl-[1-[(3-nitropyridin-2-yl)amino]propyl]-phenylazanium Traditional Name: dimethyl-[1-[(3-nitro-2-pyridyl)amino]propyl]-phenyl-ammonium Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=C(C=CC=N1)[N+](=O)[O-])[N+](C)(C)C2=CC=CC=C2

Isomeric SMILES

CCC(NC1=C(C=CC=N1)[N+](=O)[O-])[N+](C)(C)C2=CC=CC=C2

InChI

InChI=1S/C16H21N4O2/c1-4-15(20(2,3)13-9-6-5-7-10-13)18-16-14(19(21)22)11-8-12-17-16/h5-12,15H,4H2,1-3H3,(H,17,18)/q+1