N-(4-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(4-bromophenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(4-bromophenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(4-bromophenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(4-bromophenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C17H14BrN2O+ MolecularWeight: 342.20986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O/c18-15-5-7-16(8-6-15)19-17(21)12-20-10-9-13-3-1-2-4-14(13)11-20/h1-11H,12H2/p+1