(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-(2-phenoxyethyl)azanium

Systemtic Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: (3,5-dimethyl-4-nitro-1-pyrazolyl)methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: (3,5-dimethyl-4-nitropyrazol-1-yl)methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-(2-phenoxyethyl)ammonium Formula: C15H21N4O3+ MolecularWeight: 305.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+](C)CCOC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+](C)CCOC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O3/c1-12-15(19(20)21)13(2)18(16-12)11-17(3)9-10-22-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3/p+1