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

Systemtic Name: N-(6-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)-N'-ethyl-N'-methyl-ethane-1,2-diamine Openeye Name: N-(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N'-ethyl-N'-methyl-ethane-1,2-diamine CAS Name: N-(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N'-ethyl-N'-methylethane-1,2-diamine IUPAC Name: N-(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N'-ethyl-N'-methylethane-1,2-diamine Traditional Name: 2-[(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl-ethyl-methyl-amine Formula: C12H16ClN5O MolecularWeight: 281.74134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN5O/c1-3-17(2)7-6-14-12-15-10-8-9(13)4-5-11(10)18(19)16-12/h4-5,8H,3,6-7H2,1-2H3,(H,14,15,16)