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

Systemtic Name: N-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-naphthalen-1-yl-ethanamide Openeye Name: N-[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-4-ium-1-yl]-2-oxo-ethyl]-2-(1-naphthyl)acetamide CAS Name: N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-yl]-2-oxoethyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide Traditional Name: N-[2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-4-ium-1-yl]-2-keto-ethyl]-2-(1-naphthyl)acetamide Formula: C25H35N4O3+ MolecularWeight: 439.5704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H34N4O3/c1-25(2,3)27-23(31)18-28-12-7-13-29(15-14-28)24(32)17-26-22(30)16-20-10-6-9-19-8-4-5-11-21(19)20/h4-6,8-11H,7,12-18H2,1-3H3,(H,26,30)(H,27,31)/p+1