3-ethyl-6-(3-morpholin-4-ylpropoxy)-1-oxidanidyl-1,2,4-benzotriazin-4-ium 4-oxide chloride

Systemtic Name: 3-ethyl-6-(3-morpholin-4-ylpropoxy)-1-oxidanidyl-1,2,4-benzotriazin-4-ium 4-oxide chloride Openeye Name: 3-ethyl-6-(3-morpholinopropoxy)-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride CAS Name: 3-ethyl-6-[3-(4-morpholinyl)propoxy]-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride IUPAC Name: 3-ethyl-6-(3-morpholin-4-ylpropoxy)-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride Traditional Name: 3-ethyl-6-(3-morpholinopropoxy)-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride Formula: C16H22ClN4O4- MolecularWeight: 369.82328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C([N+]1=O)C=C(C=C2)OCCCN3CCOCC3)[O-].[Cl-]

Isomeric SMILES

CCC1=NN(C2=C([N+]1=O)C=C(C=C2)OCCCN3CCOCC3)[O-].[Cl-]

InChI

InChI=1S/C16H22N4O4.ClH/c1-2-16-17-20(22)14-5-4-13(12-15(14)19(16)21)24-9-3-6-18-7-10-23-11-8-18;/h4-5,12H,2-3,6-11H2,1H3;1H/p-1