N-(3-chloranyl-4-cyano-phenyl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetamide Formula: C19H19ClN3O+ MolecularWeight: 340.82666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O/c20-17-11-16(9-8-15(17)12-21)22-19(24)13-23-10-4-7-18(23)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,18H,4,7,10,13H2,(H,22,24)/p+1/t18-/m0/s1