3-[(3-ethyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-6-yl)oxy]propan-1-ol

Systemtic Name: 3-[(3-ethyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-6-yl)oxy]propan-1-ol Openeye Name: 3-[(3-ethyl-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)oxy]propan-1-ol CAS Name: 3-[(3-ethyl-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)oxy]-1-propanol IUPAC Name: 3-[(3-ethyl-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)oxy]propan-1-ol Traditional Name: 3-[(3-ethyl-1-oxido-1,2,4-benzotriazin-1-ium-6-yl)oxy]propan-1-ol Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)OCCCO)[N+](=N1)[O-]

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)OCCCO)[N+](=N1)[O-]

InChI

InChI=1S/C12H15N3O3/c1-2-12-13-10-8-9(18-7-3-6-16)4-5-11(10)15(17)14-12/h4-5,8,16H,2-3,6-7H2,1H3