N-tert-butyl-2-[4-[4-(2-ethoxyphenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(2-ethoxyphenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(2-ethoxyphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-(2-ethoxyphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(2-ethoxyphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(2-ethoxyphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H36N3O4+ MolecularWeight: 406.53894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H35N3O4/c1-5-28-18-9-6-7-10-19(18)29-16-8-11-21(27)25-14-12-24(13-15-25)17-20(26)23-22(2,3)4/h6-7,9-10H,5,8,11-17H2,1-4H3,(H,23,26)/p+1