N-(5-chloranyl-2-cyano-phenyl)-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-(3-methoxyphenyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCC[NH+]2CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2CCC[NH+]2CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C20H20ClN3O2/c1-26-17-5-2-4-14(10-17)19-6-3-9-24(19)13-20(25)23-18-11-16(21)8-7-15(18)12-22/h2,4-5,7-8,10-11,19H,3,6,9,13H2,1H3,(H,23,25)/p+1/t19-/m1/s1