3-[[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1C[C@@H](OC1)C(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H21N5O3/c23-16-13-4-1-2-5-14(13)18-19-22(16)12-20-7-9-21(10-8-20)17(24)15-6-3-11-25-15/h1-2,4-5,15H,3,6-12H2/p+1/t15-/m1/s1