3-(3-morpholin-4-ylpropyl)-1-oxidanidyl-1,2,4-benzotriazin-4-ium 4-oxide chloride

Systemtic Name: 3-(3-morpholin-4-ylpropyl)-1-oxidanidyl-1,2,4-benzotriazin-4-ium 4-oxide chloride Openeye Name: 3-(3-morpholinopropyl)-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride CAS Name: 3-[3-(4-morpholinyl)propyl]-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride IUPAC Name: 3-(3-morpholin-4-ylpropyl)-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride Traditional Name: 3-(3-morpholinopropyl)-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride Formula: C14H18ClN4O3- MolecularWeight: 325.77072

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC2=NN(C3=CC=CC=C3[N+]2=O)[O-].[Cl-]

Isomeric SMILES

C1COCCN1CCCC2=NN(C3=CC=CC=C3[N+]2=O)[O-].[Cl-]

InChI

InChI=1S/C14H18N4O3.ClH/c19-17-12-4-1-2-5-13(12)18(20)15-14(17)6-3-7-16-8-10-21-11-9-16;/h1-2,4-5H,3,6-11H2;1H/p-1