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

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepane-1,4-diium-1-yl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2-naphthyl)acetamide CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2-naphthyl)acetamide Formula: C23H34N4O2+2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCC[NH+](CC1)CC(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCC[NH+](CC1)CC(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H32N4O2/c1-23(2,3)25-22(29)17-27-12-6-11-26(13-14-27)16-21(28)24-20-10-9-18-7-4-5-8-19(18)15-20/h4-5,7-10,15H,6,11-14,16-17H2,1-3H3,(H,24,28)(H,25,29)/p+2