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

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C18H22ClN4O3+ MolecularWeight: 377.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1C[C@@H](OC1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C18H21ClN4O3/c19-14-4-3-13(11-20)15(10-14)21-17(24)12-22-5-7-23(8-6-22)18(25)16-2-1-9-26-16/h3-4,10,16H,1-2,5-9,12H2,(H,21,24)/p+1/t16-/m1/s1