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

Systemtic Name: N-(6-tert-butyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropyl-ethane-1,2-diamine Openeye Name: N-(6-tert-butyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropyl-ethane-1,2-diamine CAS Name: N-(6-tert-butyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropylethane-1,2-diamine IUPAC Name: N-(6-tert-butyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropylethane-1,2-diamine Traditional Name: 2-[(6-tert-butyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl-dipropyl-amine Formula: C19H31N5O MolecularWeight: 345.48234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N5O/c1-6-11-23(12-7-2)13-10-20-18-21-16-14-15(19(3,4)5)8-9-17(16)24(25)22-18/h8-9,14H,6-7,10-13H2,1-5H3,(H,20,21,22)