7-chloranyl-N-hexyl-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: 7-chloranyl-N-hexyl-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 7-chloro-N-hexyl-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 7-chloro-N-hexyl-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 7-chloro-N-hexyl-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: (7-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)-hexyl-amine Formula: C13H17ClN4O2 MolecularWeight: 296.75268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C1N=[N+](C2=C(N1O)C=CC(=C2)Cl)[O-]

Isomeric SMILES

CCCCCCN=C1N=[N+](C2=C(N1O)C=CC(=C2)Cl)[O-]

InChI

InChI=1S/C13H17ClN4O2/c1-2-3-4-5-8-15-13-16-18(20)12-9-10(14)6-7-11(12)17(13)19/h6-7,9,19H,2-5,8H2,1H3