N-(3-chloranyl-4-fluoranyl-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C17H17ClFN2O+ MolecularWeight: 319.781083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H16ClFN2O/c18-15-9-14(5-6-16(15)19)20-17(22)11-21-8-7-12-3-1-2-4-13(12)10-21/h5-10H,1-4,11H2/p+1