N-(tert-butylcarbamoyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2/c1-16(2,3)18-15(21)17-14(20)11-19-9-8-12-6-4-5-7-13(12)10-19/h4-10H,11H2,1-3H3,(H-,17,18,20,21)/p+1