N-(2-methoxy-5-nitro-phenyl)-2-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C18H25N4O6+ MolecularWeight: 393.4143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C(=O)[C@@H]3CCCO3

InChI

InChI=1S/C18H24N4O6/c1-27-15-5-4-13(22(25)26)11-14(15)19-17(23)12-20-6-8-21(9-7-20)18(24)16-3-2-10-28-16/h4-5,11,16H,2-3,6-10,12H2,1H3,(H,19,23)/p+1/t16-/m0/s1