(4-azanyl-6-methyl-3-nitro-pyridin-2-yl)-butyl-ethyl-(2,4,6-trimethylphenyl)azanium

Systemtic Name: (4-azanyl-6-methyl-3-nitro-pyridin-2-yl)-butyl-ethyl-(2,4,6-trimethylphenyl)azanium Openeye Name: (4-amino-6-methyl-3-nitro-2-pyridyl)-butyl-ethyl-(2,4,6-trimethylphenyl)ammonium CAS Name: (4-amino-6-methyl-3-nitro-2-pyridinyl)-butyl-ethyl-(2,4,6-trimethylphenyl)ammonium IUPAC Name: (4-amino-6-methyl-3-nitropyridin-2-yl)-butyl-ethyl-(2,4,6-trimethylphenyl)azanium Traditional Name: (4-amino-6-methyl-3-nitro-2-pyridyl)-butyl-ethyl-mesityl-ammonium Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC)(C1=C(C=C(C=C1C)C)C)C2=C(C(=CC(=N2)C)N)[N+](=O)[O-]

Isomeric SMILES

CCCC[N+](CC)(C1=C(C=C(C=C1C)C)C)C2=C(C(=CC(=N2)C)N)[N+](=O)[O-]

InChI

InChI=1S/C21H31N4O2/c1-7-9-10-25(8-2,20-15(4)11-14(3)12-16(20)5)21-19(24(26)27)18(22)13-17(6)23-21/h11-13H,7-10H2,1-6H3,(H2,22,23)/q+1