6-tert-butyl-N-(2-morpholin-4-ylethyl)-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 6-tert-butyl-N-(2-morpholin-4-ylethyl)-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 6-tert-butyl-N-(2-morpholinoethyl)-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 6-tert-butyl-N-[2-(4-morpholinyl)ethyl]-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 6-tert-butyl-N-(2-morpholin-4-ylethyl)-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (6-tert-butyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-(2-morpholinoethyl)amine Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)[N+](=NC(=N2)NCCN3CCOCC3)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)[N+](=NC(=N2)NCCN3CCOCC3)[O-]

InChI

InChI=1S/C17H25N5O2/c1-17(2,3)13-4-5-15-14(12-13)19-16(20-22(15)23)18-6-7-21-8-10-24-11-9-21/h4-5,12H,6-11H2,1-3H3,(H,18,19,20)