3-heptyl-4-oxidanidyl-6-phenyl-1,2,4-triazin-4-ium

Systemtic Name: 3-heptyl-4-oxidanidyl-6-phenyl-1,2,4-triazin-4-ium Openeye Name: 3-heptyl-4-oxido-6-phenyl-1,2,4-triazin-4-ium CAS Name: 3-heptyl-4-oxido-6-phenyl-1,2,4-triazin-4-ium IUPAC Name: 3-heptyl-4-oxido-6-phenyl-1,2,4-triazin-4-ium Traditional Name: 3-heptyl-4-oxido-6-phenyl-1,2,4-triazin-4-ium Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=[N+](C=C(N=N1)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCCCCC1=[N+](C=C(N=N1)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H21N3O/c1-2-3-4-5-9-12-16-18-17-15(13-19(16)20)14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3