2-(azepan-1-ium-1-yl)-N-(tert-butylcarbamoyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(tert-butylcarbamoyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(tert-butylcarbamoyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(tert-butylcarbamoyl)acetamide Formula: C13H26N3O2+ MolecularWeight: 256.36444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCCCCC1

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCCCCC1

InChI

InChI=1S/C13H25N3O2/c1-13(2,3)15-12(18)14-11(17)10-16-8-6-4-5-7-9-16/h4-10H2,1-3H3,(H2,14,15,17,18)/p+1