1-methyl-3-oxidanidyl-benzotriazol-3-ium hydrate

Systemtic Name: 1-methyl-3-oxidanidyl-benzotriazol-3-ium hydrate Openeye Name: 1-methyl-3-oxido-benzotriazol-3-ium hydrate CAS Name: 1-methyl-3-oxidobenzotriazol-3-ium hydrate IUPAC Name: 1-methyl-3-oxidobenzotriazol-3-ium hydrate Traditional Name: 1-methyl-3-oxido-benzotriazol-3-ium hydrate Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=N1)[O-].CN1C2=CC=CC=C2[N+](=N1)[O-].O

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=N1)[O-].CN1C2=CC=CC=C2[N+](=N1)[O-].O

InChI

InChI=1S/2C7H7N3O.H2O/c2*1-9-6-4-2-3-5-7(6)10(11)8-9;/h2*2-5H,1H3;1H2