2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepane-1,4-diium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepane-1,4-diium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepane-1,4-diium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepane-1,4-diium-1-yl]-N-phenyl-acetamide Formula: C19H32N4O2+2 MolecularWeight: 348.48298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H30N4O2/c1-19(2,3)21-18(25)15-23-11-7-10-22(12-13-23)14-17(24)20-16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3,(H,20,24)(H,21,25)/p+2