N-(3-iodanylphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(3-iodanylphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(3-iodophenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(3-iodophenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(3-iodophenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(3-iodophenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C17H14IN2O+ MolecularWeight: 389.21033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C17H13IN2O/c18-15-6-3-7-16(10-15)19-17(21)12-20-9-8-13-4-1-2-5-14(13)11-20/h1-11H,12H2/p+1