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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C18H25ClN3O4+ MolecularWeight: 382.8618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O4/c1-25-15-5-4-13(19)11-14(15)20-17(23)12-21-6-8-22(9-7-21)18(24)16-3-2-10-26-16/h4-5,11,16H,2-3,6-10,12H2,1H3,(H,20,23)/p+1/t16-/m1/s1