(3R)-N-(4-bromanyl-2-fluoranyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(4-bromanyl-2-fluoranyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(4-bromo-2-fluoro-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(4-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(4-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(4-bromo-2-fluoro-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H15BrFN2O+ MolecularWeight: 350.205503

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H14BrFN2O/c17-12-5-6-14(13(18)8-12)20-16(21)15-7-10-3-1-2-4-11(10)9-19-15/h1-6,8,15,19H,7,9H2,(H,20,21)/p+1/t15-/m1/s1