N-[(4-fluorophenyl)methyl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(4-fluorobenzyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C18H16FN2O+ MolecularWeight: 295.330843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN2O/c19-17-7-5-14(6-8-17)11-20-18(22)13-21-10-9-15-3-1-2-4-16(15)12-21/h1-10,12H,11,13H2/p+1