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

Systemtic Name: N-(6-ethoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dimethyl-ethane-1,2-diamine Openeye Name: N-(6-ethoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dimethyl-ethane-1,2-diamine CAS Name: N-(6-ethoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dimethylethane-1,2-diamine IUPAC Name: N-(6-ethoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dimethylethane-1,2-diamine Traditional Name: 2-[(6-ethoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl-dimethyl-amine Formula: C13H19N5O2 MolecularWeight: 277.32226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[N+](=NC(=N2)NCCN(C)C)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)[N+](=NC(=N2)NCCN(C)C)[O-]

InChI

InChI=1S/C13H19N5O2/c1-4-20-10-5-6-12-11(9-10)15-13(16-18(12)19)14-7-8-17(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,15,16)