N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C19H27ClN3O5+ MolecularWeight: 412.88778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCO3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCO3)OC)Cl

InChI

InChI=1S/C19H26ClN3O5/c1-26-16-11-14(17(27-2)10-13(16)20)21-18(24)12-22-5-7-23(8-6-22)19(25)15-4-3-9-28-15/h10-11,15H,3-9,12H2,1-2H3,(H,21,24)/p+1/t15-/m1/s1