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

Systemtic Name: N-(6-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-diethyl-ethane-1,2-diamine Openeye Name: N-(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-diethyl-ethane-1,2-diamine CAS Name: N-(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-diethylethane-1,2-diamine IUPAC Name: N-(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-diethylethane-1,2-diamine Traditional Name: 2-[(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl-diethyl-amine Formula: C13H18ClN5O MolecularWeight: 295.76792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(C=CC(=C2)Cl)[N+](=N1)[O-]

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(C=CC(=C2)Cl)[N+](=N1)[O-]

InChI

InChI=1S/C13H18ClN5O/c1-3-18(4-2)8-7-15-13-16-11-9-10(14)5-6-12(11)19(20)17-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16,17)