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

Systemtic Name: 4-bromanyl-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Openeye Name: 4-bromo-N-[(2R)-2-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide CAS Name: 4-bromo-N-[(2R)-2-(3-pyridinyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide IUPAC Name: 4-bromo-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Traditional Name: 4-bromo-N-[(2R)-2-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Formula: C23H23BrN3O+ MolecularWeight: 437.35222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O/c24-21-9-7-18(8-10-21)23(28)26-15-22(19-6-3-12-25-14-19)27-13-11-17-4-1-2-5-20(17)16-27/h1-10,12,14,22H,11,13,15-16H2,(H,26,28)/p+1/t22-/m0/s1