(3S)-2-[(5-cyano-2-fluoranyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[(5-cyano-2-fluoranyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(5-cyano-2-fluoro-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(5-cyano-2-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(5-cyano-2-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-(5-cyano-2-fluoro-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H17FN3O+ MolecularWeight: 310.345483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O/c19-16-6-5-12(9-20)7-15(16)11-22-10-14-4-2-1-3-13(14)8-17(22)18(21)23/h1-7,17H,8,10-11H2,(H2,21,23)/p+1/t17-/m0/s1