5-bromanyl-2-fluoranyl-N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide

Systemtic Name: 5-bromanyl-2-fluoranyl-N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Openeye Name: 5-bromo-2-fluoro-N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide CAS Name: 5-bromo-2-fluoro-N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide IUPAC Name: 5-bromo-2-fluoro-N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Traditional Name: 5-bromo-2-fluoro-N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Formula: C20H23BrFN2O+ MolecularWeight: 406.311823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=C(C=CC(=C1)Br)F)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(CNC(=O)C1=C(C=CC(=C1)Br)F)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H22BrFN2O/c1-20(2,24-10-9-14-5-3-4-6-15(14)12-24)13-23-19(25)17-11-16(21)7-8-18(17)22/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,25)/p+1