N-(3-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride

Systemtic Name: N-(3-bromophenyl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride Openeye Name: N-(3-bromophenyl)-2-isoquinolin-2-ium-2-yl-acetamide chloride CAS Name: N-(3-bromophenyl)-2-(2-isoquinolin-2-iumyl)acetamide chloride IUPAC Name: N-(3-bromophenyl)-2-isoquinolin-2-ium-2-ylacetamide chloride Traditional Name: N-(3-bromophenyl)-2-isoquinolin-2-ium-2-yl-acetamide chloride Formula: C17H14BrClN2O MolecularWeight: 377.66286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O.ClH/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;1H