3-ethyl-1-oxidanidyl-6-(2-piperidin-1-ylethoxy)-1,2,4-benzotriazin-4-ium 4-oxide chloride

Systemtic Name: 3-ethyl-1-oxidanidyl-6-(2-piperidin-1-ylethoxy)-1,2,4-benzotriazin-4-ium 4-oxide chloride Openeye Name: 3-ethyl-1-oxido-6-[2-(1-piperidyl)ethoxy]-1,2,4-benzotriazin-4-ium 4-oxide chloride CAS Name: 3-ethyl-1-oxido-6-[2-(1-piperidinyl)ethoxy]-1,2,4-benzotriazin-4-ium 4-oxide chloride IUPAC Name: 3-ethyl-1-oxido-6-(2-piperidin-1-ylethoxy)-1,2,4-benzotriazin-4-ium 4-oxide chloride Traditional Name: 3-ethyl-1-oxido-6-(2-piperidinoethoxy)-1,2,4-benzotriazin-4-ium 4-oxide chloride Formula: C16H22ClN4O3- MolecularWeight: 353.82388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C([N+]1=O)C=C(C=C2)OCCN3CCCCC3)[O-].[Cl-]

Isomeric SMILES

CCC1=NN(C2=C([N+]1=O)C=C(C=C2)OCCN3CCCCC3)[O-].[Cl-]

InChI

InChI=1S/C16H22N4O3.ClH/c1-2-16-17-20(22)14-7-6-13(12-15(14)19(16)21)23-11-10-18-8-4-3-5-9-18;/h6-7,12H,2-5,8-11H2,1H3;1H/p-1