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

Systemtic Name: (3R)-N-(3-chloranyl-2-fluoranyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(3-chloro-2-fluoro-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(3-chloro-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(3-chloro-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(3-chloro-2-fluoro-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H15ClFN2O+ MolecularWeight: 305.754503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN2O/c17-12-6-3-7-13(15(12)18)20-16(21)14-8-10-4-1-2-5-11(10)9-19-14/h1-7,14,19H,8-9H2,(H,20,21)/p+1/t14-/m1/s1