N',N'-dimethyl-N-(8-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine

Systemtic Name: N',N'-dimethyl-N-(8-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine Openeye Name: N',N'-dimethyl-N-(8-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine CAS Name: N',N'-dimethyl-N-(8-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine IUPAC Name: N',N'-dimethyl-N-(8-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine Traditional Name: dimethyl-[2-[(8-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=C2C(=CC=C1)N=C(N=[N+]2[O-])NCCN(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N=[N+]2[O-])NCCN(C)C

InChI

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