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

Systemtic Name: 5-bromanyl-2-oxidanyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Openeye Name: 5-bromo-2-hydroxy-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide CAS Name: 5-bromo-2-hydroxy-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide IUPAC Name: 5-bromo-2-hydroxy-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Traditional Name: 5-bromo-2-hydroxy-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Formula: C19H22BrN2O2+ MolecularWeight: 390.29418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCNC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCNC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C19H21BrN2O2/c20-16-6-7-18(23)17(12-16)19(24)21-9-3-10-22-11-8-14-4-1-2-5-15(14)13-22/h1-2,4-7,12,23H,3,8-11,13H2,(H,21,24)/p+1