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

Systemtic Name: 3-[(3-ethyl-1-oxidanidyl-4-oxidanylidene-1,2,4-benzotriazin-4-ium-6-yl)oxy]propan-1-ol hydrochloride Openeye Name: 3-[(3-ethyl-1-oxido-4-oxo-1,2,4-benzotriazin-4-ium-6-yl)oxy]propan-1-ol hydrochloride CAS Name: 3-[(3-ethyl-1-oxido-4-oxo-1,2,4-benzotriazin-4-ium-6-yl)oxy]-1-propanol hydrochloride IUPAC Name: 3-[(3-ethyl-1-oxido-4-oxo-1,2,4-benzotriazin-4-ium-6-yl)oxy]propan-1-ol hydrochloride Traditional Name: 3-[(3-ethyl-4-keto-1-oxido-1,2,4-benzotriazin-4-ium-6-yl)oxy]propan-1-ol hydrochloride Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C([N+]1=O)C=C(C=C2)OCCCO)[O-].Cl

Isomeric SMILES

CCC1=NN(C2=C([N+]1=O)C=C(C=C2)OCCCO)[O-].Cl

InChI

InChI=1S/C12H15N3O4.ClH/c1-2-12-13-15(18)10-5-4-9(19-7-3-6-16)8-11(10)14(12)17;/h4-5,8,16H,2-3,6-7H2,1H3;1H