(3S)-2-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(2-bromo-4-fluoro-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(2-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(2-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-(2-bromo-4-fluoro-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H17BrFN2O+ MolecularWeight: 364.232083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CC3=C(C=C(C=C3)F)Br)C(=O)N

InChI

InChI=1S/C17H16BrFN2O/c18-15-8-14(19)6-5-13(15)10-21-9-12-4-2-1-3-11(12)7-16(21)17(20)22/h1-6,8,16H,7,9-10H2,(H2,20,22)/p+1/t16-/m0/s1