dimethyl-[1-[(3-nitropyridin-4-yl)amino]propyl]-phenyl-azanium

Systemtic Name: dimethyl-[1-[(3-nitropyridin-4-yl)amino]propyl]-phenyl-azanium Openeye Name: dimethyl-[1-[(3-nitro-4-pyridyl)amino]propyl]-phenyl-ammonium CAS Name: dimethyl-[1-[(3-nitro-4-pyridinyl)amino]propyl]-phenylammonium IUPAC Name: dimethyl-[1-[(3-nitropyridin-4-yl)amino]propyl]-phenylazanium Traditional Name: dimethyl-[1-[(3-nitro-4-pyridyl)amino]propyl]-phenyl-ammonium Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=C(C=NC=C1)[N+](=O)[O-])[N+](C)(C)C2=CC=CC=C2

Isomeric SMILES

CCC(NC1=C(C=NC=C1)[N+](=O)[O-])[N+](C)(C)C2=CC=CC=C2

InChI

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