N-(5-chloranyl-2-cyano-phenyl)-2-[(3S)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(3S)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C23H24ClN4O2+ MolecularWeight: 423.91526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3C[NH+]2CC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CC3=CC=CC=C3C[NH+]2CC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C23H23ClN4O2/c24-19-8-7-17(13-25)20(12-19)26-22(29)15-28-14-18-6-2-1-5-16(18)11-21(28)23(30)27-9-3-4-10-27/h1-2,5-8,12,21H,3-4,9-11,14-15H2,(H,26,29)/p+1/t21-/m0/s1