N-(3-fluoranyl-4-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C18H20FN2O+ MolecularWeight: 299.362603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)F

InChI

InChI=1S/C18H19FN2O/c1-13-6-7-16(10-17(13)19)20-18(22)12-21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)/p+1