5-hexoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 5-hexoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 5-hexoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 5-hexoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 5-hexoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (5-hexoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine Formula: C13H18N4O2 MolecularWeight: 262.30762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC2=C1N=C(N=[N+]2[O-])N

Isomeric SMILES

CCCCCCOC1=CC=CC2=C1N=C(N=[N+]2[O-])N

InChI

InChI=1S/C13H18N4O2/c1-2-3-4-5-9-19-11-8-6-7-10-12(11)15-13(14)16-17(10)18/h6-8H,2-5,9H2,1H3,(H2,14,15,16)