N-(tert-butylcarbamoyl)-2-(3-phenylpyridin-1-ium-1-yl)ethanamide chloride

Systemtic Name: N-(tert-butylcarbamoyl)-2-(3-phenylpyridin-1-ium-1-yl)ethanamide chloride Openeye Name: N-(tert-butylcarbamoyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide chloride CAS Name: N-[(tert-butylamino)-oxomethyl]-2-(3-phenyl-1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-(tert-butylcarbamoyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide chloride Traditional Name: N-(tert-butylcarbamoyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide chloride Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)C[N+]1=CC=CC(=C1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[N+]1=CC=CC(=C1)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H21N3O2.ClH/c1-18(2,3)20-17(23)19-16(22)13-21-11-7-10-15(12-21)14-8-5-4-6-9-14;/h4-12H,13H2,1-3H3,(H-,19,20,22,23);1H