5,7-diethyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3,6-diamine

Systemtic Name: 5,7-diethyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3,6-diamine Openeye Name: 5,7-diethyl-1-oxido-1,2,4-benzotriazin-1-ium-3,6-diamine CAS Name: 5,7-diethyl-1-oxido-1,2,4-benzotriazin-1-ium-3,6-diamine IUPAC Name: 5,7-diethyl-1-oxido-1,2,4-benzotriazin-1-ium-3,6-diamine Traditional Name: (3-amino-5,7-diethyl-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)amine Formula: C11H15N5O MolecularWeight: 233.2697

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1N)CC)N=C(N=[N+]2[O-])N

Isomeric SMILES

CCC1=CC2=C(C(=C1N)CC)N=C(N=[N+]2[O-])N

InChI

InChI=1S/C11H15N5O/c1-3-6-5-8-10(7(4-2)9(6)12)14-11(13)15-16(8)17/h5H,3-4,12H2,1-2H3,(H2,13,14,15)