2-(3-iodanyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-8-yl)oxy-N,N-dimethyl-ethanamine

Systemtic Name: 2-(3-iodanyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-8-yl)oxy-N,N-dimethyl-ethanamine Openeye Name: 2-(3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-8-yl)oxy-N,N-dimethyl-ethanamine CAS Name: 2-[(3-iodo-5-oxido-8-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumyl)oxy]-N,N-dimethylethanamine IUPAC Name: 2-(3-iodo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-8-yl)oxy-N,N-dimethylethanamine Traditional Name: 2-(3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-8-yl)oxyethyl-dimethyl-amine Formula: C13H14IN5O2 MolecularWeight: 399.18703

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

Isomeric SMILES

CN(C)CCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

InChI

InChI=1S/C13H14IN5O2/c1-17(2)5-6-21-9-3-4-11-12(7-9)18-13(16-19(11)20)10(14)8-15-18/h3-4,7-8H,5-6H2,1-2H3