N-(6-tert-butyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-diethyl-ethane-1,2-diamine

Systemtic Name: N-(6-tert-butyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-diethyl-ethane-1,2-diamine Openeye Name: N-(6-tert-butyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-diethyl-ethane-1,2-diamine CAS Name: N-(6-tert-butyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-diethylethane-1,2-diamine IUPAC Name: N-(6-tert-butyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-diethylethane-1,2-diamine Traditional Name: 2-[(6-tert-butyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl-diethyl-amine Formula: C17H27N5O MolecularWeight: 317.42918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(C=CC(=C2)C(C)(C)C)[N+](=N1)[O-]

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(C=CC(=C2)C(C)(C)C)[N+](=N1)[O-]

InChI

InChI=1S/C17H27N5O/c1-6-21(7-2)11-10-18-16-19-14-12-13(17(3,4)5)8-9-15(14)22(23)20-16/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,19,20)