3-chloranyl-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Openeye Name: 3-chloro-N-[(2R)-2-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide CAS Name: 3-chloro-N-[(2R)-2-(3-pyridinyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide IUPAC Name: 3-chloro-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Traditional Name: 3-chloro-N-[(2R)-2-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Formula: C23H23ClN3O+ MolecularWeight: 392.90122

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C(CNC(=O)C3=CC(=CC=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@@H](CNC(=O)C3=CC(=CC=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C23H22ClN3O/c24-21-9-3-7-18(13-21)23(28)26-15-22(19-8-4-11-25-14-19)27-12-10-17-5-1-2-6-20(17)16-27/h1-9,11,13-14,22H,10,12,15-16H2,(H,26,28)/p+1/t22-/m0/s1