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

Systemtic Name: N',N'-dimethyl-N-(1-oxidanidyl-6-propan-2-yl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine Openeye Name: N-(6-isopropyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dimethyl-ethane-1,2-diamine CAS Name: N',N'-dimethyl-N-(1-oxido-6-propan-2-yl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine IUPAC Name: N',N'-dimethyl-N-(1-oxido-6-propan-2-yl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine Traditional Name: 2-[(6-isopropyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl-dimethyl-amine Formula: C14H21N5O MolecularWeight: 275.34944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O/c1-10(2)11-5-6-13-12(9-11)16-14(17-19(13)20)15-7-8-18(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,15,16,17)