3-hexyl-1-oxidanidyl-2-phenyl-pyrazol-1-ium

Systemtic Name: 3-hexyl-1-oxidanidyl-2-phenyl-pyrazol-1-ium Openeye Name: 3-hexyl-1-oxido-2-phenyl-pyrazol-1-ium CAS Name: 3-hexyl-1-oxido-2-phenylpyrazol-1-ium IUPAC Name: 3-hexyl-1-oxido-2-phenylpyrazol-1-ium Traditional Name: 3-hexyl-1-oxido-2-phenyl-pyrazol-1-ium Formula: C15H20N2O MolecularWeight: 244.3321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=[N+](N1C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCCCC1=CC=[N+](N1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H20N2O/c1-2-3-4-6-11-15-12-13-16(18)17(15)14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3