N',N'-dimethyl-N-(6-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine

Systemtic Name: N',N'-dimethyl-N-(6-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine Openeye Name: N',N'-dimethyl-N-(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine CAS Name: N',N'-dimethyl-N-(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine IUPAC Name: N',N'-dimethyl-N-(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine Traditional Name: dimethyl-[2-[(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl]amine Formula: C12H17N5O MolecularWeight: 247.29628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=NC(=N2)NCCN(C)C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=NC(=N2)NCCN(C)C)[O-]

InChI

InChI=1S/C12H17N5O/c1-9-4-5-11-10(8-9)14-12(15-17(11)18)13-6-7-16(2)3/h4-5,8H,6-7H2,1-3H3,(H,13,14,15)