N-(4-bromanyl-2-fluoranyl-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C23H21BrFN2O+ MolecularWeight: 440.328043

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C23H20BrFN2O/c24-20-9-10-22(21(25)13-20)26-23(28)18-7-5-16(6-8-18)14-27-12-11-17-3-1-2-4-19(17)15-27/h1-10,13H,11-12,14-15H2,(H,26,28)/p+1