(3R)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(3-fluorobenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H18FN2O+ MolecularWeight: 285.336023

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NCC3=CC(=CC=C3)F

Isomeric SMILES

C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)NCC3=CC(=CC=C3)F

InChI

InChI=1S/C17H17FN2O/c18-15-7-3-4-12(8-15)10-20-17(21)16-9-13-5-1-2-6-14(13)11-19-16/h1-8,16,19H,9-11H2,(H,20,21)/p+1/t16-/m1/s1