N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-cyano-benzamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-cyano-benzamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-cyano-benzamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-cyanobenzamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-cyanobenzamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-cyano-benzamide Formula: C20H21ClN3O+ MolecularWeight: 354.85324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O/c21-18-6-2-1-5-17(18)19(24-11-3-4-12-24)14-23-20(25)16-9-7-15(13-22)8-10-16/h1-2,5-10,19H,3-4,11-12,14H2,(H,23,25)/p+1/t19-/m0/s1