N-tert-butyl-2-isoquinolin-2-ium-2-yl-ethanamide bromide

Systemtic Name: N-tert-butyl-2-isoquinolin-2-ium-2-yl-ethanamide bromide Openeye Name: N-tert-butyl-2-isoquinolin-2-ium-2-yl-acetamide bromide CAS Name: N-tert-butyl-2-(2-isoquinolin-2-iumyl)acetamide bromide IUPAC Name: N-tert-butyl-2-isoquinolin-2-ium-2-ylacetamide bromide Traditional Name: N-tert-butyl-2-isoquinolin-2-ium-2-yl-acetamide bromide Formula: C15H19BrN2O MolecularWeight: 323.22816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[N+]1=CC2=CC=CC=C2C=C1.[Br-]

Isomeric SMILES

CC(C)(C)NC(=O)C[N+]1=CC2=CC=CC=C2C=C1.[Br-]

InChI

InChI=1S/C15H18N2O.BrH/c1-15(2,3)16-14(18)11-17-9-8-12-6-4-5-7-13(12)10-17;/h4-10H,11H2,1-3H3;1H